DSHIFT is a web server for predicting chemical shifts of DNA sequences in random coil form or double helical B-form. The prediction methods are based on sets of published reference chemical shift values and correction factors which account for shielding or deshielding effects from neighboring nucleotides. Proton, carbon and phosphorus chemical shift predictions are available for random coil DNA...

The emergence and stability of superstructured cylindrical phases in frustrated ABC linear triblock copolymers are investigated by the self-consistent field theory. Our results reveal that the complex single/double/triple helices-on-cylinder phases are formed when the straight cylinders-on-cylinder and rings-oncylinder phases are frustrated due to packing constraints. A free energy comparison i...

We have investigated the supramolecular structure of helical ribbons formed during self-assembly of a b-sheet peptide using computer simulation. We tested a wide range of molecular packing geometries consistent with the experimental dimensions to identify the most stable structure, and then systematically changed the helical geometry to investigate its energy landscape. The effect of pH was inc...

The bis-bidentate bridging ligand L reacts with Ag(I) ions to form a conventional dinuclear [Ag(2)L(2)](2+) double helicate; individual double helicate units assemble via Ag···Ag interactions into infinite chains, three of which wrap around a central spine of anions to give a triple helical braid, which is therefore an infinite triple helix composed of molecular double helicate subunits.

By choosing V-shaped ligands, Cu2+ cations and isopolymolybdates as starting materials, a novel double helical compound [Cu(H2O)(bimb)]2[β-Mo8O26] (1) (bimb = 1,3-bis(1-imidazoly)benzene) was hydrothermally synthesized and characterized by elemental analyses, single-crystal X-ray diffraction, powder X-ray diffraction and IR spectroscopy. A structural feature is that compound 1 represents the fi...

We have constructed a robust β-helical nanotube from the component proteins of bacteriophage T4 and modified this nanotube with Ru(II)(bpy)(3) and Re(I)(bpy)(CO)(3)Cl complexes. The photocatalytic system arranged on the tube catalyzes the reduction of CO(2) with higher reactivity than that of the mixture of the monomeric forms.

Experiments and CFD-PBM simulation were performed in this study to investigate the effects of helically-finned tube (HFT) internals on gas-liquid flow a laboratory-scale bubble column. Hydrodynamic parameters, including gas holdup, size field as well turbulence properties, compared for an empty column other two columns with bare-tube (BT) or HFT internals. We found that bare rods promote stabil...

The sheath of the Serratia entomophila antifeeding prophage, which is pathogenic to the New Zealand grass grub Costelytra zealandica, is a 3-fold helix formed by a 4-fold symmetric repeating motif disposed around a helical inner tube. This structure, determined by electron microscopy and image processing, is distinct from that of the other known morphologically similar bacteriophage sheaths.

In the past few years suggestions have emerged that the solar magnetic field might have a bi-helical contribution with oppositely polarized magnetic fields at large and small scales, and that the shedding of such fields may be crucial for the operation of the dynamo. It is shown that, if a bi-helical field is shed into the solar wind, positive and negative contributions of the magnetic helicity...

Molecular dynamics simulation has been carried out to explore the configuration and quantity threshold of multiple graphene nanoribbons (GNRs) in single-walled carbon nanotube (SWCNT). The simulation results showed that several GNRs tangled together to form a perfect spiral structure to maximize the π-π stacking area when filling inside SWCNT. The formation of multiple helical configuration is ...