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

doi:10.1117/12.148462

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

Author Affiliations +

Proceedings Volume 1916, Smart Structures and Materials 1993: Smart Materials; (1993) https://doi.org/10.1117/12.148462
Event: 1993 North American Conference on Smart Structures and Materials, 1993, Albuquerque, NM, United States

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.

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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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