Acetylcholinesterase: enhanced fluctuations and alternative routes to the active site in the complex with fasciculin-2

A 15 ns molecular dynamics simulation is reported for the complex of mouse acetylcholinesterase (mAChE) and the protein neurotoxin fasciculin-2. As compared to a 15 ns simulation of apo-mAChE, the structural fluctuations of the enzyme are substantially increased in magnitude for the enzyme in the complex. Fluctuations of part of the long omega loop (residues 69-96) are particularly enhanced. This loop forms one wall of the active site, and the enhanced fluctuations lead to additional routes of access to the active site.     

Natural radionuclides and assessment of radiological hazards in different geological formations in Khammouan province,Laos

Journal of Radioanalytical and Nuclear Chemistry - The 226Ra, 232Th (228Ra), 40K activity concentrations in soil distributed in 67 points belonging to different geological formations in Khammouan,...     

Semi-analytical study of meniscus oscillation in an electrospray under AC voltage

In this paper, the oscillation of the meniscus in an electrospray with AC voltage is semi-analytically investigated. The electric field is achieved using the charge simulation method and the mutual interaction between the electric field and hydrodynamics is iteratively explored to investigate the oscillation. After determining the static meniscus shape on a nozzle, the meniscus oscillation is simulated under sinusoidal AC voltage. The semi-analytic simulation can offer the oscillating meniscus shapes and contours of the electric field outside the meniscus according to the applied frequency. Furthermore, the velocity profile of the liquid inside the meniscus is achieved.     

Kinetics of reactions of aquacobalamin with aspartic and glutamic acids and their amides in water solutions

The kinetics of aquacobalamin reaction with aspartic and glutamic acids, and with their amides in water solutions, is studied via spectrophotometry. The kinetic and activation parameters of the process are determined. It is shown that the reaction product is cobalamin–amino acid complex. The data are compared to results on the reaction between aquacobalamin and primary amines.     

Weighted estimates for commutators of some singular integrals related to Schrödinger operators

Let L=−Δ+V$L=-\mathrm{\Delta }+V$ be a Schrödinger operator with a non-negative potential V satisfying some appropriate reverse Hölder inequality. In this paper, we study the boundedness of the commutators of some singular integrals associated to L such as the Riesz transforms and fractional integrals with the new BMO functions introduced in Bongioanni et al. (2011) [1] on the weighted spaces L^p(w)$L^p(w)$ where w belongs to the new classes of weights introduced by Bongioanni et al. (2011) [2].