Cyclooctyne-based reagents for uncatalyzed click chemistry: A computational survey

With the goal of identifying alkyne-like reagents for use in click chemistry, but without Cu catalysts, we used B3LYP density function theory (DFT) to investigate the trends in activation barriers for the 1,3-dipolar cycloadditions of azides with various cyclooctyne, dibenzocyclooctyne, and azacyclooctyne compounds. Based on these trends, we find monobenzocyclooctyne-based reagents that are predicted to have dramatically improved reactivity over currently employed reagents

Lancifodilactone G : insights about an unusually stable enol

From quantum mechanics calculations we confirm that the naturally occurring enol lancifodilactone G is stable over the keto form (by 2.6 kcal/mol in water), the only known stable aliphatic enol (devoid of conjugated or bulky aromatics and lacking a 1,3-diketone structural motif known to stabilize enols). We determine architectural elements responsible for the enol stabilization and find a mechanism for keto-enol conversion in solution. In addition, we correct previously reported computational results that were performed on the misinterpreted structure demonstrating that the enol form of this natural product is more stable than previously thought

Redundancy of hydraulic flight control actuators

The constraint of requiring airplanes to have inherent aerodynamic stability can be removed by using active control systems. The resulting airplane requires control system reliability approaching that of the basic airframe. Redundant control actuators can be used to achieve the required reliability, but create mechanization and operational problems. Of numerous candidate systems, two different approaches to solving the problems associated with redundant actuators which appear the most likely to be used in advanced airplane control systems are described

A More Perfect Union: A National Citizenship Plan

A More Perfect Union: A National Citizenship Plan sets forth the resources, activities, and partnerships that would be required to naturalize as many eligible immigrants as possible. It calls for a national mobilization in support of citizenship, identifying the roles of government, immigrant service agencies, and other sectors of society in a coordinated plan. It describes a program that could serve as a linchpin of an emerging U.S. immigrant integration strategy.Access the complete report via the download link below. An executive summary and individual chapters may be downloaded at http://www.cliniclegal.org/DNP/citzplan.html

Oligomerization Route to Py-Im Polyamide Macrocycles

Cyclic eight-ring pyrrole−imidazole polyamides are sequence-specific DNA-binding small molecules that are cell permeable and can regulate endogenous gene expression. Syntheses of cyclic polyamides have been achieved by solid-phase and solution-phase methods. A rapid solution-phase oligomerization approach to eight-ring symmetrical cyclic polyamides yields 12- and 16-membered macrocycles as well. A preference for DNA binding by the 8- and 16-membered oligomers was observed over the 12-ring macrocycle, which we attributed to a conformational constraint not present in the smaller and larger systems

Status report the SRC-1 and SRC-2 processes

Bench-scale and pilot plant development of solvent refined coal (SRC) processes is reviewed. Large SRC demonstration plants are described. Commercialization of the process is envisioned for the 1980's

Comparison of consumer attitudes between Cyprus and Latvia: An evaluation of effect of setting on consumer preferences in the water industry

This is the post-print version of the article. The official published version can be obtained from th link below - Copyright @ SpringerModels approaching consumer expectations of their water supplier from a risk perspective suggest that consumers primarily and overwhelmingly want safe drinking water supply. In this study consumer preferences in the water sector are investigated in two contrasting case studies: Cyprus, where there have been significant quantity and continuity of supply issues, and Riga, where there have been water quality issues. While water quality is undoubtedly the main priority of water consumers in Riga, in Cyprus consumers indicate that they prioritise a more reliable service even though many are sufficiently dissatisfied with water quality that they do not drink the tap water. The analysis of consumer attitudes in the two case studies suggests that when water supply is unreliable, reliability takes precedence; once it is reliable quality issues come to the fore.This research was carried out as part of Work Area 6 of the TECHNEAU project, an integrated project funded under FP6 of the European Commission, grant number: 018320

Allosteric modulation of DNA by small molecules

Many human diseases are caused by dysregulated gene expression. The oversupply of transcription factors may be required for the growth and metastatic behavior of human cancers. Cell permeable small molecules that can be programmed to disrupt transcription factor-DNA interfaces could silence aberrant gene expression pathways. Pyrrole-imidazole polyamides are DNA minor-groove binding molecules that are programmable for a large repertoire of DNA motifs. A high resolution X-ray crystal structure of an 8-ring cyclic Py/Im polyamide bound to the central 6 bp of the sequence d(5′-CCAGGCCTGG-3′)2 reveals a 4 Å widening of the minor groove and compression of the major groove along with a >18 ° bend in the helix axis toward the major groove. This allosteric perturbation of the DNA helix provides a molecular basis for disruption of transcription factor-DNA interfaces by small molecules, a minimum step in chemical control of gene networks

Consumer trust and confidence: Some recent ideas in the literature

This is a post-print version of the article. The official published version can be accessed from the link below - © IWA Publishing 2008This paper reflects on two recent debates in the consumer literature on trust that have implications for consumer relations in the water industry. The first concerns an important yet seldom made distinction between trust and confidence. The second concerns when and how trust is related to acceptance of, for example, new tariffs or new technologies, and it challenges the conventional view that trust is usually a precursor of acceptance. New conceptual models addressing these debates are described and their implications for future water-related consumer research are discussed as are potential implications for industry relationships with consumers