A modified Stokes-Einstein equation for Aβ aggregation

Fractional Stokes-Einstein and Debye-Stokes-Einstein relations in a network-forming liquid.

We study the breakdown of the Stokes-Einstein (SE) and Debye-Stokes-Einstein (DSE) relations for translational and rotational motion in a prototypical model of a network-forming liquid, the ST2 model of water. We find that the emergence of fractional SE and DSE relations at low temperature is ubiquitous in this system, with exponents that vary little over a range of distinct physical regimes. W...

Methylations of Tryptophan Modified Naphtoquinone Affect its Inhibitory Potential towards Aβ Aggregation Supporting Information

Methylations of tryptophan-modified naphthoquinone affect its inhibitory potential toward Aβ aggregation.

Aggregation of amyloid beta (Aβ) is the hallmark of Alzheimer's disease (AD). Small molecules inhibiting Aβ can be valuable therapeutics for AD. We have previously reported that 1,4-naphthoquinon-2-yl-l-tryptophan (NQTrp), reduces aggregation and oligomerization of Aβ in vitro and in vivo. In silico analysis further showed that certain functional groups of NQTrp, not in the aromatic rings, are ...

A blob method for the aggregation equation

Abstract. Motivated by classical vortex blob methods for the Euler equations, we develop a numerical blob method for the aggregation equation. This provides a counterpoint to existing literature on particle methods. By regularizing the velocity field with a mollifier or “blob function”, the blob method has a faster rate of convergence and allows a wider range of admissible kernels. In fact, we ...

Modified Einstein equations

Standard general relativity fails to take into account the changes in coordinates induced by the variation of metric in the Hilbert action principle. We propose to include such changes by introducing a fundamental compensating tensor field uniquely associated with any given coordinatization procedure.