On Suboptimal LCS-alignments for Independent Bernoulli Sequences with Asymmetric Distributions

Let X = X ₁ ... X _n and Y = Y ₁ ... Y _n be two binary sequences with length n. A common subsequence of X and Y is any subsequence of X that at the same time is a subsequence of Y; The common subsequence with maximal length is called the longest common subsequence (LCS) of X and Y. LCS is a common tool for measuring the closeness of X and Y. In this note, we consider the case when X and Y are both i.i.d. Bernoulli sequences with the parameters ϵ and 1 − ϵ, respectively. Hence, typically the sequences consist of large and short blocks of different colors. This gives an idea to the so-called block-by-block alignment, where the short blocks in one sequence are matched to the long blocks of the same color in another sequence. Such and alignment is not necessarily a LCS, but it is computationally easy to obtain and, therefore, of practical interest. We investigate the asymptotical properties of several block-by-block type of alignments. The paper ends with the simulation study, where the of block-by-block type of alignments are compared with the LCS.     

Influence of the size and geometry of the anion binding pocket of sugar–urea anion receptors on chiral recognition

Three new chiral urea-type anion receptors were synthesized from aromatic diamines and 1-amino-1-deoxyglucose. The anion binding properties of these receptors were studied using chiral carboxylates derived from mandelic acid and three α-amino acids. We found that the size of the anion binding pocket played an important role in chiral recognition processes. The best results were obtained for 1,8-diaminoanthracene and α-amino acid anions.     

Adsorption of Ni(II) from model solutions using co-precipitated inorganic oxides

The aim of this work was to obtain an inorganic oxide system containing silica and magnesium oxide, and characterized by specific physicochemical properties, in particular well-defined adsorption parameters. The preparation process was carried out according to a co-precipitation method using solutions of sodium silicate and selected inorganic magnesium salt. The oxide system obtained (MgO·SiO₂) was used as a support (adsorbent) of nickel(II) ions, whose precursors were model solutions of nitrates. The effectiveness of the adsorption process was evaluated using many different analytical techniques, including atomic absorption spectroscopy, energy dispersive X-ray spectroscopy and equivalent point titration. Moreover the stability of adsorbent/adsorbate bonding was estimated. The oxide systems—adsorbents—used in the process were also analyzed according to their physicochemical properties, especially changes in adsorption parameters. The last part of the study involved evaluation of the kinetics of the adsorption process depending on time and the pH of the reaction system.     

On the structure of the Bochner–Martinelli residue currents

The paper presents a survey of the main results of I.M. Vinogradov.     

Strength of Si–H ⋯ B charge-inverted hydrogen bonds in 1-silacyclopent-2-enes and 1-silacyclohex-2-enes

It is shown that the H ? B contacts in 1-silacyclohex-2-enes are clearly stabilizing and strong, whereas those in 1-silacyclopent-2-enes are much weaker. This result is supported by analysis of QTAIM-based parameters and appropriate structural changes taking place upon the open form → closed form transformation and is in full agreement with previous NMR spectroscopic data [Wrackmeyer et al. (2006) Appl Organometal Chem 20:99–105]. Also, the influence of electronic and steric effects originating from the presence of specific substituents on the strength of the H ? B contacts is discussed in detail. Some problems and ideas associated with the use of the so-called open-closed method utilized in assessing values of interaction energies are discussed in detail. Particular attention is paid to the correct choice of reference open systems. It is shown that their partial geometry optimization leads to reliable values of interaction energies.     

Crystal habit modifications of imatinib mesylate under various precipitation conditions

Abstract  

Crystals of the α-form of imatinib mesylate with various habits (e.g., polyhedral-like and plate-like) were prepared from various organic solvents (e.g., butyl lactate, 4-methyl-2-pentanone, 2-methyl-2-butanol, 2-isopropoxyethanol, propyl ether) by several precipitation methods. The methods provide imatinib mesylate in a non-needle-shaped crystalline α-form. The crystal modification was identified by hot-stage microscopy, scanning electron microscopy, differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FTIR), and X-ray powder diffraction (XRPD). The analyses by DSC, IR, and XRPD indicate that imatinib mesylate crystals with various habits have the same crystal structure. The plate-like habit has been also observed in the system where the organic solvent acts as a precipitant.