Molybdenum trioxide catalyzed oxidative cross-dehydrogenative coupling of benzylic sp(3) C-H bonds: synthesis of alpha-aminophosphonates under aerobic conditions

Molybdenum trioxide (MoO3) catalyzed efficient oxidative cross-dehydrogenative-coupling (CDC) method for C-H functionalization of N-aryl tetrahydroisoquinolines has been explored. This user-friendly method of synthesizing alpha-aminophosphonates employs 1.1 equiv of dialkyl-H-phosphonate under aerobic condition. Formation of new C-P bonds from unfunctionalized starting materials under environmentally benign conditions provides an excellent avenue for the synthesis of biologically active alpha-aminophosphonates. (C) 2012 Elsevier Ltd. All rights reserved.

A non-isothiocyanate route to synthesize trisubstituted thioureas of arylamines using in situ generated dithiocarbamates

A novel, user-friendly, and convenient method for the synthesis of trisubstituted thioureas of arylamines is presented, for the first time, using in situ generated dithiocarbamates of secondary amines. This strategy provides an excellent opportunity to access thioureas containing primary aryl amines. A non-isothiocyanate route to obtain thioureas is the advantage of this strategy, which may provide a useful route to synthesize a variety of biologically active derivatives of thioureas.

An automated approach to network features of protein structure ensembles

Network theory applied to protein structures provides insights into numerous problems of biological relevance. The explosion in structural data available from PDB and simulations establishes a need to introduce a standalone-efficient program that assembles network concepts/parameters under one hood in an automated manner. Herein, we discuss the development/application of an exhaustive, user-friendly, standalone program package named PSN-Ensemble, which can handle structural ensembles generated through molecular dynamics (MD) simulation/NMR studies or from multiple X-ray structures. The novelty in network construction lies in the explicit consideration of side-chain interactions among amino acids. The program evaluates network parameters dealing with topological organization and long-range allosteric communication. The introduction of a flexible weighing scheme in terms of residue pairwise cross-correlation/interaction energy in PSN-Ensemble brings in dynamical/chemical knowledge into the network representation. Also, the results are mapped on a graphical display of the structure, allowing an easy access of network analysis to a general biological community. The potential of PSN-Ensemble toward examining structural ensemble is exemplified using MD trajectories of an ubiquitin-conjugating enzyme (UbcH5b). Furthermore, insights derived from network parameters evaluated using PSN-Ensemble for single-static structures of active/inactive states of 2-adrenergic receptor and the ternary tRNA complexes of tyrosyl tRNA synthetases (from organisms across kingdoms) are discussed. PSN-Ensemble is freely available from http://vishgraph.mbu.iisc.ernet.in/PSN-Ensemble/psn_index.html.

Expanding adoption of drinking water treatment systems in developing countries: a case study from Tamil Nadu, India

Household-level water treatment and safe storage systems (HWTS) are simple, local, user-friendly, and low cost options to improve drinking water quality at the point of use. However, despite conclusive evidence of the health and economic benefits of HWTS, and promotion efforts in over 50 countries in the past 20 years, implementation outcomes have been slow, reaching only 5-10 million regular users. This study attempts to understand the barriers and drivers affecting HWTS implementation. Using a case study example of a biosand filter program in southern India, system dynamics modelling is shown to be a useful tool to map the inter-relationships of different critical factors and to understand the dissemination dynamics. It is found that the co-existence of expanding quickly and achieving financial sustainability appears to be difficult to achieve under the current program structure.

A systems approach to characterise the dissemination process of household water treatment systems in developing countries

Abstract: Starting in the 1980s, household-level water treatment and safe storage systems (HWTS) have been developed as simple, local, user-friendly, and low cost options to improve drinking water quality at the point of use. However, despite conclusive evidence of the health and economic benefits of HWTS, and promotion efforts in over 50 countries in the past 20 years, implementation outcomes have been slow, reaching only 5-10 million regular users. This study attempts to understand the barriers and drivers affecting HWTS implementation. Although existing literature related to HWTS and innovation diffusion theories proposed ample critical factors and recommendations, there is a lack of holistic and systemic approach to integrate these findings. It is proposed that system dynamics modelling can be a promising tool to map the inter-relationships of different critical factors and to understand the structure of HWTS dissemination process, which may lead to identifying high impact, leveraged mitigation strategies to scale-up HWTS adoption and sustained use.

An Easy-to-Construct Automated Winkler Titration System

The instrument described in this report is an updated version of the high precision, automated Winkler titration system described by Friederich et al.(1984). The original instrument was based on the work of Bryan et al. (1976) who developed a colorimetric endpoint detector and on the work of Williams and Jenkinson (1982) who produced an automated system that used this detector. The goals of our updated version of the device described by Friederich et al. (1984) were as follows: 1) Move control of the system to the MS-DOS environment because HP-85 computers are no longer in production and because more user-friendly programs could be written using the IBM XT or AT computers that control the new device. 2) Use more "off the shelf" components and reduce the parts count in the new system so that it could be easily constructed and maintained. This report describes how to construct and use the new automated Winkler titration device. It also includes information on the chemistry of the Winkler titration, and detailed instructions on how to prepare reagents, collect samples, standardize and perform the titrations (Appendix I: Codispoti, L.A. 1991 On the determination of dissolved oxygen in sea water, 15pp.). A disk containing the program needed to operate the new device is also included. (pdf contains 33 pages)

Hopwood Hall College: Touchscreen technology overtakes interactive whiteboards as interactive teaching tool of choice

Hopwood Hall is adopting the use of touch screen technology and gradually replacing its interactive whiteboards to improve access to interactive learning. The touch screen monitors connected to LCD TV’s provide a cheaper classroom build with technology that’s more user-friendly and better suited to classroom delivery. Until now, interactive boards had been the mainstay of classrooms but they created teaching barriers for staff including the additional software to learn and master. They are also expensive and often have usability issues with 'pens' not working or having a delay when used as the mouse tool.

ICGE: an R package for detecting relevant clusters and atypical units in gene expression

Background: Gene expression technologies have opened up new ways to diagnose and treat cancer and other diseases. Clustering algorithms are a useful approach with which to analyze genome expression data. They attempt to partition the genes into groups exhibiting similar patterns of variation in expression level. An important problem associated with gene classification is to discern whether the clustering process can find a relevant partition as well as the identification of new genes classes. There are two key aspects to classification: the estimation of the number of clusters, and the decision as to whether a new unit (gene, tumor sample ... ) belongs to one of these previously identified clusters or to a new group. Results: ICGE is a user-friendly R package which provides many functions related to this problem: identify the number of clusters using mixed variables, usually found by applied biomedical researchers; detect whether the data have a cluster structure; identify whether a new unit belongs to one of the pre-identified clusters or to a novel group, and classify new units into the corresponding cluster. The functions in the ICGE package are accompanied by help files and easy examples to facilitate its use. Conclusions: We demonstrate the utility of ICGE by analyzing simulated and real data sets. The results show that ICGE could be very useful to a broad research community.

Ground water-surface water interactions sensor technology, Savannah, Georgia, March 7-9, 2005: workshop proceedings

The Alliance for Coastal Technologies (ACT) held a Workshop on Sensor Technology for Assessing Groundwater-Surface Water Interactions in the Coastal Zone on March 7 to 9,2005 in Savannah, GA. The main goal of the workshop was to summarize the general parameters, which have been found to be useful in assessing groundwater-surface water (GW-SW) interactions in the coastal zone. The workshop participants (Appendix I) were specifically charged with identifying the types of sensor systems, if any, that have been used to obtain time-series data and to make known which parameters may be the most amenable to the development/application of sensor technology. The group consisted of researchers, industry representatives, and environmental managers. Four general recommendations were made: 1. Educate coastal managers and agencies on the importance of GW-SW interactions, keeping in mind that regulatory agencies are driven by a different set of rules than researchers: the focus is on understanding the significance of the problem and providing solutions. ACT could facilitate this process in two ways. First, given that the research literature on this subject is fairly diffuse, ACT could provide links from its web site to fact sheets or other literature. Second, ACT could organize a focused meeting for managers and/or agency groups. Encourage development of primary tools for quantifying flow. The most promising technology in this respect is flow meters designed for flux chambers, mainly because they should be simple to use and can be made relatively inexpensively. However, it should be kept in mind that they provide only point measurements and several would need to be deployed as a network in order to obtain reliable flow estimates. For evaluating system wide GW-SW interactions, tools that integrate the signal over large areas would be required. Suggestions include a user-friendly hydrogeologic models, keeping in mind that freshwater flow is not the entire story, or continuous radon monitors. Though the latter would be slightly more difficult to use in terms of background knowledge, such an instrument would be low power and easy to operate and maintain. ACT could facilitate this recommendation by identifying funding opportunities on its web site and/or performing evaluations of existing technologies that could be summarized on the web site. (pdf contains 18 pages)

Limited resources? Let the habitat priority planner help!

In this time of scarce resources, coastal resource managers must find ways to prioritize conservation, land use, and restoration efforts. The Habitat Priority Planner (HPP) is a free geospatial tool created by the National Oceanic and Atmospheric Administration’s Coastal Services Center that has received wide praise for its ease of use and broad applicability to conservation strategic planning, restoration, climate change scenarios, and other natural resource management actions. Not a geographic information system (GIS) user? Don’t worry―this tool was designed to be used in a team setting. One intermediate-level GIS user can push the buttons to show quick results while a roomful of resource managers and stakeholders provide input criteria that determine the results. The Habitat Priority Planner is a toolbar for ESRI’s ArcGIS platform that is composed of three modules: Habitat Classification, Habitat Analysis, and Data Explorer. The tool calculates basic ecological statistics that are used to examine how habitats function within a landscape. The tool pre‐packages several common landscape metrics into a user‐friendly interface for intermediate GIS users. In addition, HPP allows the user to build queries interactively using a graphical interface for demonstrating criteria selections quickly in a visual manner that is useful in stakeholder interactions. Tool advocates and users include land trusts, conservation alliances, nonprofit organizations, and select National Estuarine Research Reserves and refuges of the U.S. Fish and Wildlife Service. Participants in this session will learn the basic requirements for HPP use and the multiple ways the HPP has been applied to geographies nationwide. (PDF contains 5 pages)

Biotechnologies for cancer diagnostics : cell sorting, protein analysis and imaging of cellular metabolism

This thesis presents the development of chip-based technology for informative in vitro cancer diagnostics. In the first part of this thesis, I will present my contribution in the development of a technology called “Nucleic Acid Cell Sorting (NACS)”, based on microarrays composed of nucleic acid encoded peptide major histocompatibility complexes (p/MHC), and the experimental and theoretical methods to detect and analyze secreted proteins from single or few cells.

Secondly, a novel portable platform for imaging of cellular metabolism with radio probes is presented. A microfluidic chip, so called “Radiopharmaceutical Imaging Chip” (RIMChip), combined with a beta-particle imaging camera, is developed to visualize the uptake of radio probes in a small number of cells. Due to its sophisticated design, RIMChip allows robust and user-friendly execution of sensitive and quantitative radio assays. The performance of this platform is validated with adherent and suspension cancer cell lines. This platform is then applied to study the metabolic response of cancer cells under the treatment of drugs. Both cases of mouse lymphoma and human glioblastoma cell lines, the metabolic responses to the drug exposures are observed within a short time (~ 1 hour), and are correlated with the arrest of cell-cycle, or with changes in receptor tyrosine kinase signaling.

The last parts of this thesis present summaries of ongoing projects: development of a new agent as an in vivo imaging probe for c-MET, and quantitative monitoring of glycolytic metabolism of primary glioblastoma cells. To develop a new agent for c-MET imaging, the one-bead-one-compound combinatorial library method is used, coupled with iterative screening. The performance of the agent is quantitatively validated with cell-based fluorescent assays. In the case of monitoring the metabolism of primary glioblastoma cell, by RIMChip, cells were sorting according to their expression levels of oncoprotein, or were treated with different kinds of drugs to study the metabolic heterogeneity of cancer cells or metabolic response of glioblastoma cells to drug treatments, respectively.

A new adaptive marine policy toolbox to support ecosystem-based approach to management

4 p.

Management and Promotion of Digitization Projects: Geologic Atlas of the US

The Geologic Atlas of the United States was digitized and stored in the Texas A&M University institutional repository. Extensive metadata was created which emphasized the geographic and geologic aspects of the material. The map sheets were also convered into kml files for Google Earth and ESRI shape files for use in GIS. A Yahoo!Map interface allows for visualization of the locations of each folio and user friendly browsing across the collection. Details of the project will be discussed, including the selection, digitization methods and standards, preservation, metadata, web presence and staffing. Its storage in DSpace, assortment of publicity outlets, and its inclusion in targeted clearinghouses expand its potential use to national and international audiences.

Modelling algal blooms

This is the final report on the research project to develop predictive models to quantify algal blooms in relation to environmental variables. The project's objectives were to develop models simulating the impact of vertical structure and mass transfer upon the dynamics of planktonic algae, including cyanobacteria, in lakes and reservoirs, to assess the potential of sedimentary phosphorus to sustain algal growth following reduction in external loading and to expand and enhance formulations to predict behaviour of blue-green algal populations and to incorporate these into a model software package. As part of the project a strategy for the production of a user-friendly packaging for the modelling software PROTEC-2 adaptable to particular sites was developed.

A computer software package for assessing and managing risks posed by experiments with genetically modified fish and shellfish

Assessment and management of risk is needed for sustainable use of genetically modified aquatic organisms (aquatic GMOs). A computer software package for safely conducting research with genetically modified fish and shellfish is described. By answering a series of questions about the organism and the accessible aquatic ecosystem, a researcher or oversight authority can either identify specific risks or conclude that there is a specific reason for safety of the experiment. Risk assessment protocols with examples involving transgenic coho salmon, triploid grass carp and hybrid tilapia are described. In case a specific risk is identified, the user is led to consider risk management measures, involving culture methods, facilities design and operations management, to minimize the risk. Key features of the software are its user-friendly organization; easy access to explanatory text, literature citations and glossary; and automated completion of a worksheet. Documented completion of the Performance Standards can facilitate approval of a well designed experiment by oversight authorities.