PubMed · 11753351
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Ritsert C Jansen, Jan-Peter Nap, Ludmila Mlynárová. 2002. Errors in genomics and proteomics.. https://doi.org/10.1038/nbt0102-19b
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The conformational preferences of peptides of the type, Ac-X-Y-NHMe, where X and Y = Ala, cage and Pro, were studied by means of computational techniques within the framework of a molecular mechanics approach. For each of the eight peptide analogues, extensive conformational searches were carried out using molecular dynamics (MD) and simulated annealing (SA) protocols in an iterative fashion. Both results are in good agreement and complement each other. The conformational search indicates that the cage residue restricts the conformational freedom of the dipeptide considerably in comparison with the other model residues used. This study revealed that proline exhibits a greater tendency in promoting reverse-turn characteristics in comparison to the cage peptides, which show promising beta-turn characteristics. It was also found that 300-500 K is not sufficient to overcome rotational barriers for cage peptides. In all cases, the low-energy conformers have a tendency to form bent structures.
Separation of heavier-than-water plastic mixtures had been investigated via the fluidization of their packed beds induced by an upward flow of water. The samples examined were resin pellets and crushed plastic products including PVC, PET and PBT. On the onset of a flow, a mixed bed was swelled to the state of fluidization and separated into layers of respective resins depending on their density. The effects of the flow rate, an amount of the samples and their density difference were examined on the separation of resin pellets. Under an appropriate condition, the process was completed within a few minutes, and satisfactory separation was attained when the density difference of the samples exceeded 0.05 g cm-3. By using a column equipped with several sample outlets sorted resins could be recovered with their purity intact by withdrawing each layer successively from above through a suitable outlet. Multi-stage separation was also found to be effective in treating close-density samples. Compared with uniform-sized resin pellets, size distribution of crushed plastic samples deteriorated the separation to some extent.
The problem of obtaining the first and second derivatives of the profile of a pendant droplet is formulated as an integral equation of the first kind. This equation is solved by Tikhonov regularization in which the method of general cross validation is used to guide the selection of the regularization parameter. These derivatives are converted into mean curvature as a function of droplet height. Surface tension is then obtained by regression computation between the mean curvature and two possible algebraic expressions suggested by the Laplace-Young equation. This way of obtaining surface tension is demonstrated by applying it to a number of published droplet profiles. Some of the problems encountered are discussed and solutions suggested.