The Sadhana index (Sd) is a newly introduced cyclic index. Efficient formulae for calculating the Sd (Sadhana) index of linear phenylenes are given and a simple relation is established between the Sd index of phenylenes and of the corresponding hexagonal sequences.

Two-dimensional (2-D) spatially varying convolutional filters for three-dimensional (3-D) depth extrapolation are efficiently designed and implemented by using McClellan transformations. Although efficient, McClellan transformations only approximate circularly symmetric depth extrapolation filters. The accuracy of the extrapolation filters can be increased only at an increase in the computation...

Denote by B∗ n the set of all k∗-cycle resonant hexagonal chains with n hexagons. For any Bn ∈ B ∗ n , let m(Bn) and i(Bn) be the numbers of matchings (=the Hosoya index) and the number of independent sets (=the Merrifield-Simmons index) of Bn, respectively. In this paper, we give a characterization of the k∗-cycle resonant hexagonal chains, and show that for any Bn ∈ B ∗ n , m(Hn) ≤ m(Bn) and ...

Using atomistic molecular dynamic simulations we study the transitions between solid herringbone and liquid crystalline hexagonal mesophases of discotic liquid crystals formed by hexabenzocoronene derivatives. Combining a united atom representation for the side chains with the fully atomistic description of the core, we study the effect of side chain substitution on the transition temperatures ...

Using density functional theory and generalized gradient approximation for exchange and correlation, we present theoretical analysis of the electronic structure of recently synthesized graphyne and its boron nitride analog (labeled as BN-yne). The former is composed of hexagonal carbon rings joined by C-chains, while the latter is composed of hexagonal BN rings joined by C-chains. We have explo...

Lipopolysaccharides (LPS) make up approximately 75% of the Gram-negative bacterial outer membrane (OM) surface, but because of the complexity of the molecule, there are very few model OMs that include LPS. The LPS molecule consists of lipid A, which anchors the LPS within the OM, a core polysaccharide region, and a variable O-antigen polysaccharide chain. In this work we used RcLPS (consisting ...

The ester-linked ω-hydroxy acyl chain linked to a sphingosine base referred as CER EOS is essential for the skin barrier lipid organization. While majority of lipids form dense, crystalline structure, associated with low permeability, unsaturated moiety EOS, (either linoleate or oleate chain) exists in liquid phase at skin's physiological temperature. Thus, relationship between and function not...

Asymmetric and semi-symmetric amphiphilic diblock copolymers polystyrene-block-poly (dimethylaminoethyl methacrylate) (PS-b-PDMAEMA) with the same PS block length of 62 repeat units and quite short (3 repeat units) or equivalent (47 repeat units) length of PDMAEMA have been prepared simply by varying the ratio of the bromine-terminated macroinitiator polystyrene (PS-Br) to DMAEMA using atom tra...

The chain packing in ordered phases of lipid bilayers can be classified according to wide-angle X-ray diffraction (WAXS). For triclinic (T(‖)) and monoclinic (M(‖)) packing in crystalline L(c) phases, the wide-angle reflections index on an oblique lattice with spacings s(10)≠s(01)≠s(11), and each chain has four nearest neighbours. For orthorhombic (O(⊥)) packing in L(c) phases, and the rotation...