Two-dimensional NMR lineshape analysis

NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions

Nonlinear Optics

This chapter provides a brief introduction into the basic nonlinear-optical phenomena and discusses some of the most significant recent advances and breakthroughs in nonlinear optics, as well as novel applications of nonlinear-optical processes and devices. Nonlinear optics is the area of optics that studies the interaction of light with matter in the regime where the response of the material system to the applied electromagnetic field is nonlinear in the amplitude of this field. At low light intensities, typical of non-laser sources, the properties of materials remain independent of the intensity of illumination. The superposition principle holds true in this regime, and light waves can pass through materials or be reflected from boundaries and interfaces without interacting with each other. Laser sources, on the other hand, can provide sufficiently high light intensities to modify the optical properties of materials. Light waves can then interact with each other, exchanging momentum and energy, and the superposition principle is no longer valid. This interaction of light waves can result in the generation of optical fields at new frequencies, including optical harmonics of incident radiation or sum- or difference-frequency signals