Circular dichroism of the “random” polypeptide chain

Theoretical calculation of the circular dichroism of unordered polypeptide chains.

Synopsis A calculation has been done of the circular dichroism (CD) spectrum of an unordered polypeptide chain. This has been based on a Boltzmann averaging over a dipeptide conformational CD map. This is shown to be valid by comparing the CD spectra of 28-mer oligopeptides with those generated by summing dipeptide CD spectra. The calculated CD spectrum of an unordered polypeptide chain is foun...

Circular Dichroism of Protein

Toroidal Circular Dichroism

T. A. Raybould,1, ⇤ V. A. Fedotov,1 N. Papasimakis,1 I. Kuprov,2 I. J. Youngs,3 W. T. Chen,4, † D. P. Tsai,4, 5 and N. I. Zheludev1, 6 Optoelectronics Research Centre, University of Southampton, SO17 1BJ, United Kingdom School of Chemistry, University of Southampton, SO17 1BJ, United Kingdom DSTL, Salisbury, United Kingdom Department of Physics, National Taiwan University, Taipei, 10617, Taiwan...

Circular dichroism: electronic

First-principles calculations of electronic circular dichroism (ECD) are widely used to determine absolute configurations of chiral molecules. In addition, ECD is a sensitive probe for the three-dimensional molecular structure, making ECD calculations a useful tool to study conformational changes. In this review, we explain the origin of ECD and optical activity using response theory. While the...

Nuclear spin circular dichroism.

Recent years have witnessed a growing interest in magneto-optic spectroscopy techniques that use nuclear magnetization as the source of the magnetic field. Here we present a formulation of magnetic circular dichroism (CD) due to magnetically polarized nuclei, nuclear spin-induced CD (NSCD), in molecules. The NSCD ellipticity and nuclear spin-induced optical rotation (NSOR) angle correspond to t...