† National Institute of Standards and Technology. ‡ National Institutes of Health. * To whom correspondence should be addressed. E-mail: [email protected]. Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8543, and Section on Tissue Biophysics and Biomimetics, Laboratory of Integrative and Medical Biophysics, NICHD, National Institutes of Health, B...

High performance liquid chromatography (HPLC) with ultraviolet (UV) spectrophotometric detection is a common method for analyzing reaction products in organic chemistry. This procedure would benefit from a computational model for predicting the relative response of organic molecules. Models are now reported for the prediction of the integrated UV absorbance for a diverse set of organic compound...

Over the past 10 years, there has been tremendous progress in the measurement, modeling and understanding of structure-function relationships in single molecule junctions. Numerous research groups have addressed significant scientific questions, directed both to conductance phenomena at the single molecule level and to the fundamental chemistry that controls junction functionality. Many differe...

Various iron group alloys have been electrodeposited and evaluated for properties including corrosion resistance, microstructure, electrical resistivity, magnetoresistance and other magnetic properties. Corrosion resistance depends on deposit composition and microstructure, which are controlled by solution composition and deposition variables. Maximum corrosion resistance was observed for 50Ni5...

A series of regioisomers for dithiafulvenyl-substituted phenylacetylene derivatives was synthesized and characterized to show structure-dependent electronic properties and different reactivities in their oxidized states.

Motivation. Modeling structure property relationships accurately is a challenging task and newly developed kernel based methods may provide the accuracy for building these relationships. Method. Kernelized variant of traditional recursive least squares algorithm is used to model two QSPR datasets. Results. All the datasets showed a good correlation between actual and predicted values of boiling...

The ability of conjugated polymers to function as electronic materials is dependent on the efficient transport of excitons along the polymer chain. Generally, the photophysics of the chromophore monomer dictate the excited state behavior of the corresponding conjugated polymers. Different molecular structures are examined to study the role of excited state lifetimes and molecular conformations ...

Most marine organisms make functional biomolecular materials that extend to varying degrees 'beyond their skins'. These materials are very diverse and include shells, spines, frustules, tubes, mucus trails, egg capsules and byssal threads, to mention a few. Because they are devoid of cells, these materials lack the dynamic maintenance afforded intra-organismic tissues and thus are usually assum...

Studies of the physical properties of the co-cured networks formed from three similar dicyanate ester monomers revealed a number of unexpected variations from simple linear mixing rules. These variations shed light on important synergistic effects in co-cured thermosetting networks and their possible causes. The monomers utilized were the dicyanate esters of Bisphenol A (BADCy), Bisphenol E (LE...

Fluorescent dyes with aggregation-induced emission (AIE) properties exhibit intensified emission upon aggregation. They are promising candidates to study biomolecules and cellular changes in aqueous environments when aggregation formation occurs. Here, we report a group of 9-position functionalized anthracene derivatives that were conveniently synthesized by the palladium-catalyzed Heck reactio...