Oritavancin, a lipoglycopeptide with marked bactericidal activity against vancomycin-resistant Staphylococcus aureus and enterococci, induces calcein release from CL:POPE and POPG:POPE liposomes, an effect enhanced by an increase in POPG:POPE ratio, and decreased when replacing POPG by DPPG (Domenech et al., Biochim Biophys Acta 2009; 1788:1832-40). Using vesicles prepared from lipids extracted...

We present results obtained for anisotropic potentials for protein simulations extracted from the continually growing databases of protein structures. This work is based on the assumption that the detailed information on molecular conformations can be used to derive statistical (a.k.a. ‘knowledge-based’) potentials that can describe on a coarse-grained level the side chain–side chain interactio...

Sulfonated polyelectrolyte membranes (PEMs), such as Nafion and styrene-olefin block copolymers, are explored as permselective membranes for fuel cells as well as suitable barrier materials against chemical agents. The permselective properties of PEM are determined by their microphase segregation into hydrophilic and hydrophobic domains. We performed classical molecular dynamics simulations of ...

Cross-correlation between 15N-1H dipolar interactions and 15N chemical shift anisotropy (CSA) gives rise to different relaxation rates of the doublet components of 15N-{1H} peptide backbone amides. A simple scheme for quantitative measurement of this effect is described which yields information on the magnitude of the CSA from the relative intensities of 1H-15N correlations obtained with two sl...

in an electrically anisotropic media, current density  is not aligned with the electric field  and varies with the e-field direction. this can be considered as the spatial aliasing effects aroused by the subsurface structures whose individual dimensions are smaller than the inductive length scale of diffusively propagating em fields. the role of these structures is particularly significant in t...

Cohesive-frictional soils are widely used in the construction of embankment structures and due to the method of construction, i.e. applying compactive efforts in the vertical direction in these cases, the occurrence of anisotropy in the soil strength and permeability seems to be inevitable. In this study, attempts have been made to evaluate the shear strength of c-f soils through modifying a l...

15N NMR relaxation times in perdeuterated HIV-1 protease, complexed with the sub-nanomolar inhibitor DMP323, have been measured at 600 and 360 MHz ~H frequency. The relative magnitudes of the principal components of the inertia tensor, calculated from the X-ray coordinates of the protein drug complex, are 1.0:0.85:0.44. The relation between the TI/T2 ratios observed for the individual backbone ...

thermomechanical control process steel produced by rolling has a significant anisotropy. the elongated grains and inclusions formed during hot rolling of ferrite and low carbon hsla steels directly influence the anisotropy of the steel’s mechanical properties as a result of microstructural anisotropy. the present research deals with this anisotropy, and particular attention has been paid to the...

modification of natural polymers like protein by graft co-polymerization is an important method to incorporate the desired properties into the backbone. soy protein concentrate (spc) was grafted with ethylmethacrylate (ema) using ascorbic acid /potassium persulphate as redox initiator system under pressure. different reaction parameters such as reaction time, reaction pressure, solvent amount, ...

Complete nuclear magnetic resonance (NMR) chemical-shielding tensors, sigma, have been computed at different levels of density-functional theory (DFT), within the gauge-including atomic orbital (GIAO) formalism, for the atoms of the peptide model For-L-Ala-NH2 as a function of the backbone dihedral angles phi and psi by employing a dense grid of 10 degrees. A complete set of rigorously orthogon...