Paper
23 July 1993 New smart materials: molecular simulation of nonlinear optical chromophore-containing polypeptides and liquid crystalline siloxanes
Ruth Pachter, Soumya S. Patnaik, Robert L. Crane, W. Wade Adams
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Abstract
In our continuing efforts towards the design of an ordered three-dimensional network of nonlinear-optical chromophore-substituted polymer chains with controlled optical properties (the so-called smart filter), molecular simulations of polypeptide-bound chromophores and siloxane-based liquid crystals are presented. The importance of chromophore substitution on the amount of polypeptide helix destabilization was demonstrated, and similar effects are shown to exist for (L-tyrosine) in this study. Molecular dynamics simulations also indicate that the charged Congo Red substituent destabilizes the polypeptide, showing larger helix bending and backbone dihedral angles variations resulting from interactions with the NLO moiety. Understanding these molecular ordering phenomena is critical to our ability to design new materials with tailored optical properties.
© (1993) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Ruth Pachter, Soumya S. Patnaik, Robert L. Crane, and W. Wade Adams "New smart materials: molecular simulation of nonlinear optical chromophore-containing polypeptides and liquid crystalline siloxanes", Proc. SPIE 1916, Smart Structures and Materials 1993: Smart Materials, (23 July 1993); https://doi.org/10.1117/12.148462
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KEYWORDS
Chromophores

Liquid crystals

Molecules

Molecular interactions

Hydrogen

Nonlinear optics

Chemical species

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