Feature reconstruction

IP3 Receptors. Figure 2 Key structural features of IP3 receptors. The key domains are shown in the central block. The upper structures show the suppressor domain (PDB accession code, 1XZZ) and the IBC (1N4K) with its (red) and p (blue) domains. A proposed structure for the pore region is shown below, with the selectivity filter shown in red only two of the four subunits are shown. The lowest panel shows reconstructed 3D structures of IP3R1 viewed (left to right) from ER lumen, the cytosol and in cross-section across the ER membrane (reproduced with permission from [4]). 

Since the pioneering work of Rohrer and Binning,77 scanning tunelling microscopy (STM) has been used to image atomic-scale features of electrically conductive surfaces under ultra-high-vacuum but also at atmospheric pressure and in aqueous electrochemical environments. The ability of STM to image chemisorption and surface reconstruction is well... 

Utilizing the wavelet coefficients of the stable extrema we can reconstruct a signal that contains the distinguished features at several scales. In Fig. 14, by utilizing the wavelet coefficients of the shaded region, we can completely reconstruct the pulse with minimum quantitative distortion. 

Summarizing, we find that, depending on the choice of a and p, we are able to reconstruct different features of the data in factor-space by means of the latent vectors. On the one hand, if a = 1 then we can reproduce the cross-products C between the rows of the table. On the other hand, if p equals 1 then we are able to reproduce the cross-products between columns of the table. Clearly, we can have both a = 1 and P = 1 and reproduce cross-products between rows as well as between columns. In the following section we will explain that cross-products can be related to distances between the geometrical representations of the corresponding rows or columns. 

Ertl and his colleagues in 1997 reported detailed STM data for the oxidation of CO at Pt(l 11) surfaces, with quantitative rates extracted from the atomically resolved surface events.27 The aim was to relate these to established macroscopic kinetic data, particularly since it had been shown that no surface reconstruction occurred and the reaction was considered to obey the Langmuir-Hinshelwood mechanism, where it is assumed that the product (C02) is formed by reaction between the two adsorbed reactants, in this case O(a) and CO(a). Nevertheless, it was well known that for many features of the CO oxidation reaction at Pt(lll) there is no mechanism that is consistent with all features of the kinetics the inherent problem is that in general a reaction mechanism cannot be uniquely established from kinetics because of the possible contribution of intermediates or complications for which there might be no direct experimental evidence. 

By its very definition, the MaxEnt method is optimally suited to flexibly reconstruct distributions whose main features are well represented in the available data, that is either in the observations or in the prior structural knowledge. When this is the case, the missing structure can be reasonably approximated by a collection of randomly and independently distributed constituents (by missing structure here we mean all those structural details which are not completely defined by the prior knowledge). 

When the reconstruction of the density is carried out by modulation of a prior prejudice of spherical atoms, only the deformation features have to be accommodated this can be accomplished relatively easily, and the Lagrange multipliers are usually below 0.01 in modulus, or even smaller for valence-only runs. No aliasing problems occur in the synthesis of (x). 

The MEM is a powerful new method which is especially useful in cases with limited data sets (powder diffraction). Monte Carlo simulations have shown that the MEM introduces systematic features into the reconstructed density and caution should be exercised when interpreting fine details of an MEM density. It must be emphasized that because the present MEM algorithms do not contain any models, they cannot filter out inconsistencies in the data stemming from systematic errors. The MEM densities may therefore contain non-physical features not only because of systematic bias in the calculation but also because of systematic errors in the data. 

Quite complex kinetic behavior has been identified on some surfaces. For instance, on Ir(100), the TPD data from NO-saturated surfaces display two N2 desorption peaks, one at 346 K from the decomposition of bridge-bonded NO, and a second at 475 K from the decomposition of atop-bonded NO molecules [13], Interestingly, the first feature is quite narrow, indicating an autocatalytic process for which the parallel formation of N20 appears to be the crucial step. An additional complication arises from the fact that this Ir(100) surface undergoes a (1x5) reconstruction, and that NO adsorbed on the metastable unreconstructed (lxl) phase leads to N2 desorption at lower temperatures. In another example, on the reconstructed hexagonal Pt(100) surface, when a mixed NO + CO adsorbed layer is heated, a so-called surface explosion is observed where the reaction products (N2, C02 and N20) desorb simultaneously in the form of sharp peaks with half-widths of only 7 to 20 K. The shape of the TPD spectra suggests again an autocatalytic mechanism [14],... 

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