Improved Resolution from Double Constant-Time Evolution of 3D and 4D Triple-Resonance Experiments

Triple-resonance NMR experiments are nearly essential for performing backbone assignments of proteins larger than 15 kDa. Our work extends the double constant-time (2CT) evolution scheme to triple-resonance 3D and 4D experiments. The modifications needed to accomplish 2CT evolution in triple resonance experiments are straight forward, are completely general, and consequently, will yield increased resolution for all out-and-back experiments. We expect that the increased resolution of experiments presented here will be useful in the study of larger proteins (>30 kDa) and in the study of highly helical proteins where¹HN,¹⁵N, and¹³C dimensions are poorly dispersed.     

Tunneling and transport problems for a quantum mechanical Brownian particle

The Kanai model of a quantum mechanical Brownian particle is used to examine the effect of interactions between particles and their environment. Random forces cause the thermalization of the particle. Reflection of a particle from a step barrier is analyzed. The problem of tunneling of the Brownian particle through a rectangular barrier is solved. Finally, a solution for a Brownian particle in a box is presented.     

Connection formulae for Painlevé V functions : II. The δ function Bose gas problem

We continue our study of those Painlevé V equations which admit a one-parameter family of solutions analytic at the origin and solve the global problem of connecting the 2-parameter expansion about t = 0 with the 2-parameter expansion valid for t → ± i∞. A special case of our results is applied to the study of the one-particle reduced density matrix of the one-dimensional gas of impenetrable bosons. We also use our results to obtain a 2-parameter connection formula for a class of Painlevé III functions.     

Temperature dependence in the Schumann-Runge photoabsorption continuum of oxygen

The photoabsorption cross section in the Schumann-Runge continuum of oxygen has been measured with high precision over the wavelength region 140–174 nm at temperatures in the range 295–575 K. Models for the upper state potential and the electronic transition moment were used in the calculation of the cross section and its temperature dependence. By comparing this theoretical cross section with measured values, curves for the upper state potential and the transition moment in the continuum region have been obtained independently for the first time.     

Rotational variation of predissociation linewidths for the Schumann-Runge bands of molecular oxygen

Predissociation linewidths are presented as a function of rotation for the (3-0)-(14-0) Schumann- Runge bands of molecular oxygen. While there may be a slight tendency overall for the linewidths to increase with rotation, it is shown that previous assumptions of linewidths constant with rotation are generally valid within the experimental error for the range of rotation studied, N_n ? 21. There is no evidence for the sudden increase in linewidth with rotation reported elsewhere.     

Networks, dynamics, and modularity

The identification of general principles relating structure to dynamics has been a major goal in the study of complex networks. We propose that the special case of linear network dynamics provides a natural framework within which a number of interesting yet tractable problems can be defined. We report the emergence of modularity and hierarchical organization in evolved networks supporting asymptotically stable linear dynamics. Numerical experiments demonstrate that linear stability benefits from the presence of a hierarchy of modules and that this architecture improves the robustness of network stability to random perturbations in network structure. This work illustrates an approach to network science which is simultaneously structural and dynamical in nature.     

Function spaces and product topologies on powers of spaces

A study is made of two classes of product topologies on powers of spaces: the general box product topologies, and the general uniform product topologies. Some examples are given and some results are shown about the properties of these general product spaces. This is applied to show that certain spaces of continuous functions with the fine topology are homeomorphic to box product spaces, and certain spaces of continuous functions with the uniform topology are homeomorphic to uniform product spaces.     

Molecular flexibility effects upon liquid dynamics

Simulation results for the diffusive behavior of polymer chain/penetrant systems are analyzed. The attractive range and flexibility of simple chain molecules were varied in order to gauge the effect on dynamics. In all cases, the dimensionless diffusion coefficient, D*, is found to be a smooth, single-valued function of the packing fraction, eta. The functions D*(eta) are found to be power laws with exponents that are sensitive to both chain stiffness and particle type. For a specific system type, the D*'s for both penetrant and chain-center-of-mass extrapolate to zero at the same packing fraction, eta0. This limiting packing fraction is interpreted to be the location of the glass transition, and (eta0-eta), the distance to the glass transition.