Synthesis of [4,5-Bis(hydroxymethyl)-1,3-dithiolan-2-yl]nucleosides as Potential Inhibitors of HIV(1)

The synthesis of [4,5-bis(hydroxymethyl)-1,3-dithiolan-2-yl]nucleosides is described. (2S,3S)-1,2:3,4-Diepoxybutane (13) was reacted with potassium thiocyanate to give (2R,3R)-1,2:3,4-diepithiobutane (14). Thiiranering opening with acetate followed by deacetylation gave (2R,3R)-2,3-dithiothreitol (19) which was silylated and treated with trimethyl orthoformate to give the 2-methoxy-1,3-dithiolane 20. Condensation of 20 with silylated thymine, uracil, N(4)-benzoylcytosine and 6-chloropurine using a modified Vorbrüggen procedure, followed by deprotection, gave the nucleoside analogues. Compounds 26, 28, and 30 were found to be inactive when tested for anti-HIV activity in vitro.     

Network analysis of the state space of discrete dynamical systems

We study networks representing the dynamics of elementary 1D cellular automata (CA) on finite lattices. We analyze scaling behaviors of both local and global network properties as a function of system size. The scaling of the largest node in-degree is obtained analytically for a variety of CA including rules 22, 54, and 110. We further define the path diversity as a global network measure. The coappearance of nontrivial scaling in both the hub size and the path diversity separates simple dynamics from the more complex behaviors typically found in Wolfram's class IV and some class III CA.     

Are neutron stars with crystalline color-superconducting cores relevant for the LIGO experiment?

We estimate the maximal deformation that can be sustained by a rotating neutron star with a crystalline color-superconducting quark core. Our results suggest that current gravitational-wave data from the Laser Interferometer Gravitational-Wave Observatory have already reached the level where a detection would have been possible over a wide range of the poorly constrained QCD parameters. This leads to the nontrivial conclusion that compact objects do not contain maximally strained color crystalline cores drawn from this range of parameter space. We discuss the uncertainties associated with our simple model and how it can be improved in the future.     

Relativistic two-stream instability

We study the (local) propagation of plane waves in a relativistic, non- dissipative, two-fluid system, allowing for a relative velocity in the “background” configuration. The main aim is to analyze relativistic two-stream instability. This instability requires a relative flow—either across an interface or when two or more fluids interpenetrate—and can be triggered, for example, when one-dimensional plane-waves appear to be left-moving with respect to one fluid, but right-moving with respect to another. The dispersion relation of the two-fluid system is studied for different two-fluid equations of state: (i) the “free” (where there is no direct coupling between the fluid densities), (ii) coupled, and (iii) entrained (where the fluid momenta are linear combinations of the velocities) cases are considered in a frame-independent fashion (e.g.no restriction to the rest-frame of either fluid). As a by-product of our analysis we determine the necessary conditions for a two-fluid system to be causal and absolutely stable and establish a new constraint on the entrainment.     

Injection profiles in liquid chromatography II: predicting accurate injection-profiles for computer-assisted preparative optimizations

In computer assisted optimization of liquid chromatography it has been known for some years that it is important to use experimental injection profiles, instead of rectangular ones, in order to calculate accurate elution bands. However, the incorrectly assumed rectangular profiles are still mostly used especially in numerical optimizations. The reason is that the acquisition of injection profiles, for each injection volume and each flow rate considered in a computer-assisted optimization requires a too large number of experiments. In this article a new function is proposed, which enables highly accurate predictions of the injection profiles and thus more accurate computer optimizations, with a minimum experimental effort. To model the injection profiles for any injection volume at a constant flow rate, as few as two experimental injection profiles are required. If it is desirable to also take the effect of flow rate on the injection profiles into account, then just two additional experiments are required. The overlap between fitted and experimental injection profiles at different flow rates and different injection volumes were excellent, more than 90%, using experimental injection profiles from just four different injection volumes at two different flow rates. Moreover, it was demonstrated that the flow rate has a minor influence on the injection profiles and that the injection volume is the main parameter that needs to be accounted for.     

Homolytic cleavage of the β-ether bond in phenolic β-O-4 structures in wood lignin and in guaiacylglycerol-β-guaiacyl ether

The degradation of guaiacylglycerol-β-guaiacyl ether and lignin in spruce wood was studied in order to investigate the extent of homolytic reactions on heating with dioxane: water media (“mild hydrolysis”). The degradation reactions were studied at different temperatures, reaction times and pH-values. The results clearly show that extensive cleavage of phenolic β-ethers occur under the conditions prevailing during heating in dioxane: water media. Homolytic cleavage of phenolic β-ethers should therefore be considered in interpretations of results from “mild hydrolysis” of lignin.