Bin Gu

The solvation of NaCl in model water with different hydrogen bond strength

Based on hybrid water models, we design a series of solvent environments with different hydrogen bond strength and study the solvation of NaCl in them. The microstructures and dynamical behaviors of solvents and ion solutes are presented in detail to trace the correlations between the hydrogen bond strength of water and the solvation mechanism of the ions. In the process of the solvation of NaCl, the balance of the competition between breaking original solvent structures and formation of hydration shells around ions is sensitive to the hydrogen bonding ability of water. The results indicate that NaCl is most ideally dissolved in natural water with the strongest hydration effects around both cations and anions. In solvents with both reduced and enhanced hydrogen bond strength, the ions are more inclined to be in contact or aggregate into clusters of different sizes. These phenomena show that appropriate hydrogen bond strength is crucial for waters natural dissolving capacity.

Solvent effects on the conformation of DNA dodecamer segment: A simulation study

Different solvent temperatures with five kinds of counterions are used to investigate solvent effects on the DNA microscopic structure. The dodecamer d (CGCGAATTCGCG) DNA segment is merged into the solvents and its conformation transition is studied with the molecular dynamics simulations in detail. For the simple point charge model of water molecule with Na(+) counterions, as temperature increases from 200 K to 343 K, the duplex DNA changes from stiff B form to a state between A form and B form, which we define as mixed (A-B) structure, with a double helix unwinding. To study the counterions effects, other four alkali cations, Li(+), K(+), Rb(+), or Cs(+) ions, are substituted for Na(+) ions at 298 K and 343 K, respectively. For the cases of Li(+), Rb(+), and Cs(+) ions, the duplex DNA becomes more flexible with sugar configuration changing form C2-endo to C1-endo type and the width and depth of minor groove at CpG and GpC steps moving towards A values, as the mass of the counterions decreasing. For the case of K(+) ions, DNA-K(+) interaction widens the width of minor and major grooves at ApA steps and TpT steps, respectively. It seems that the light ions (Li(+) or Na(+)) prefer to interact with the free phosphate oxygen atoms while the heavier ions (Rb(+) and Cs(+)) strongly interact with the base pairs.

Two decades variation about ionospheric parameters foF2, foE and M3000F2

The rules of ionosphere is important in the study of space weather, here three series of ionospheric vertical sounding stations locating in different latitude are selected, in the comparison of the time variations of Δ foF2, Δ foE, Δ M3000F2 during score years of two stations locating in the nearly same latitude, some rules have been found, some of which are not only attributed to the sun but also attributed to the troposphere.

EFFICIENT POLARIZATION ENTANGLEMENT GENERATION FROM SPATIALLY CORRELATED PHOTONS

We present an efficient protocol for polarization entanglement generation from spatially correlated photons in spontaneous parametric down-conversion. Compare with the protocol proposed by Shimuzu et al. (Phys. Rev. A77 032338), only one polarizing beam splitter is used in this protocol, which makes it simpler and more convenient in a practical application. By increasing the number of the slits, we provide a way for generation of a hyperentangled state in both the spatial and polarization degrees of freedom.