The mathematical expression for the best-fit surface is user-defined; for the membrane the patches here, because of their simple overall geometry, a three-dimensional quadratic equation describes their curvature sufficiently well. This equation has the general form:(Equation 1)z(x,y)=a+bx+cx2+...
CENP-A nucleosomes are characterized by less-tightly-bound DNA ends, which affects the geometry of CENP-A-containing chromatin10. In the presence of CENP-N, all CENP-A nucleosomes (both in mononucleosome stacks and in folded chromatin arrays) exhibit tightly bound DNA ends, similar to what ...
A further characteristic of the present invention resides in the fact that the annular film-forming elements are configured as a tubular crown, a net-like metallic pipe structure with a different geometry being clamped between the tubular crown and the rotor surface. It has been shown that, cont...
The Gaussian 09 program was utilized to perform the TD-DFT calculations. The ground state (S0) geometries of dimers were obtained from the single crystal structures and no further geometry optimization was conducted in order to maintain the specific molecular configurations and corresponding intermolecula...
In this embodiment, all of these components are at least substantially planar; however, in other embodiments, one or more of these components may have a different geometry. Generally, samples may be introduced into either compartment, and measurements may be performed with the system in any ...
Abstract Venom as a form of chemical prey capture is a key innovation that has underpinned the explosive radiation of the advanced snakes (Caenophidia). Small venom proteins are often rich in disulfide bonds thus facilitating stable molecular scaffolds that present key functional residues on the prot...
It is direc- tional and its geometry is defined within narrow limits. Because of their strength, hydrogen bond interactions are specific, with conserved orientation. However, they are also made and broken rapidly during complexation, con- formational change, and folding. This study suggests that ...
QUILD uses improved geometry-optimization techniques, such as adapted delocalized coordinates and specially constructed model Hessians. When necessary, Cl À counteranions have been used instead of BArF À for reducing computational complexity. See the Supplementary Discussion 1 for a detailed ...
The samples were sprayed in a gas-thermal spraying installation with a geometry corresponding to the simulation results; see Figure 4. Substrate material—steel 3. The material was previously subjected to sandblasting. Figure 4. Operation of the gas-thermal installation. 2.3. Research of Raw Mate...
Linear correlations between the experimental 1H- and 13C-NMR chemical shifts and the computed screening constants confirm the optimized geometry. Experimental General The FTIR spectra in Nujol and Florolube mulls at 2 cm-1 resolution and Raman spectrum were recorded on a Bruker IFS 66v/S ...