Recent advancements in the field of organic electronics and bioelectronics have focused on the processing of PEDOT:PSS with ionic additives to promote high electrical conductivity and device performance. The combination of excellent electrical properties and tunable structure are increasingly attractive, however, the mechanism responsible for these properties, specifically from a solution-phase self-assembly perspective, is unknown. Herein, we reveal how solution-phase self-assembly of PEDOT:PSS with ionic additives leads to multiscale ordering which influences thin film microstructure, electronic properties, enables new additive manufacturing modalities, and applications in aqueous environments.
A major problem in structural biology is the recognition of differences and similarities between related three dimensional (3D) biomolecular structures. Investigating these structure relationships is important not only for understanding of functional properties of biologically significant molecules, but also for development of new and improved materials based on naturally-occurring molecules. We developed a new visual analysis tool, X3DBio2, for 3D biomolecular structure comparison and analysis. The tool is designed for elucidation of structural effects of mutations in proteins and nucleic acids and for assessment of time dependent trajectories from molecular dynamics simulations. X3DBio2 is a freely downloadable open source software and provides tightly integrated features to perform many standard analysis and visual exploration tasks. We expect this tool can be applied to solve a variety of biological problems and illustrate the use of the tool on the example study of the differences and similarities between two proteins of the glycosyltransferase family 2 that synthesize polysaccharides oligomers.
The size and conformational distances and retained core structural similarity of proteins SpsA to K4CP represent significant epochs in the evolution of inverting glycosyltransferases.
Protein tertiary structure analysis provides valuable information on their biochemical functions. The structure-to-function
relationship can be directly addressed through three dimensional (3D) biomolecular structure exploration and
comparison. We present X3DBio1, a visual analysis tool for 3D biomolecular structure exploration, which allows for
easy visual analysis of 2D intra-molecular contact map and 3D density exploration for protein, DNA, and RNA
structures. A case study is also presented in this paper to illustrate the utility of the tool. X3DBio1 is open source and
freely downloadable. We expect this tool can be applied to solve a variety of biological problems.
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