On trace identities and universal eigenvalue estimates for some partial differential operators

In this article, we prove and exploit a trace identity for the spectra of Schrödinger operators and similar operators. This identity leads to universal bounds on the spectra, which apply to low-lying eigenvalues, eigenvalue asymptotics, and to partition functions (traces of heat operators). In many cases they are sharp in the sense that there are specific examples for which the inequalities are saturated. Special cases corresponding to known inequalities include those of Hile and Protter and of Yang.

     

Enthalpy and free energy of solubilization for 1-pentanol in anionic + cationic and anionic + nonionic surfactant mixtures

The standard enthalpy of solubilization as well as the partition coefficient of 1-Pentanol between micelles and water have been determined in the whole composition range of two binary surfactant systems from microcalorimetry experiments. The free energy results compare favorably with partition coefficients deduced from a head-space gas-chromatographic technique. It is shown that the surfactant mixing of sodium decylsulfate+decyltrimethylammonium bromide (system I) or sodium dodecylsulfate+dodecylpolyoxyethylene(23) (system II) is unfavorable to micellar solubilization. The solubilization of 1-pentanol is a highly endothermic process for system (I) and only slightly endothermic for system (II). The regular solution approximation predicts qualitatively the standard free energy as well as the standard enthalpy data. These results illustrate a discussion on the limits as well as the usefulness of the regular solution approach as applied to these three-component systems using available solubilization results from the literature for hydrophobic solutes in binary micellar surfactant solutions.     

Effect of sodium salicylate and other electrolytes on the partition of 1-pentanol between sodium dodecylsulfate micelles and water: A gas-chromatographic study

The salt effect of sodium salicylate (NaS) on the micellization and micellar solubilization of sodium dodecylsulfate (NaDS) has been studied. The experimental and theoretical conditions for the determination of the thermodynamic partition coefficient P of 1-pentanol between the micellar pseudo-phase and water in presence of added salt is discussed in the case of a precise gas-chromatographic method. In Particular, it is shown that P decreases with solute concentration in aqueous NaDS and sodium perfluorooctanoate surfactant solutions in opposition to the classical behavior in water-organic immiscible phases. As a reference salt effect, it is shown that P is constant with added NaCl in a large salt concentration domain where NaDS micelles are known to undergo dranatic structural changes. In the case of added NaS, P decreases slightly at very high salt concentration. It is suggested that this behavior might be the consequence of partial mixed micelle formation between the salicylate ion and NaDS micelles.     

Some new (s,k,λ)-translation transversal designs with non-abelian translation group

For >1 and many values of s andk, we give a construction of (s,k,)-partitions of finite non-abelian p-groups and of Frobenius groups with non-abelian kernel. These groups are associated with translation transversl designs of the same parameters.     

关于平面19-点集的空凸分划问题

主要研究了平面上处于一般位置的19-点集,根据其凸包边数的不同,分别讨论了其所含空凸多边形的个数,得出G(19)≤5.在此基础上,对平面上处于一般位置的n-点集得出G(n)≤[11n/42],从而改进了G(n)的上界.     

Identification of potential inhibitor and enzyme-inhibitor complex on trypanothione reductase to control Chagas disease

Chagas is a parasitic disease with major threat to public health due to its resistance against commonly available drugs. Trypanothione reductase (TryR) is the key enzyme to develop this disease. Though this enzyme is well thought-out as potential drug target, the accurate structure of enzyme-inhibitor complex is required to design a potential inhibitor which is less available for TryR. In this research, we aimed to investigate the advanced drug over the available existing drugs by designing inhibitors as well as to identify a new enzyme-inhibitor complex that may act as a template for drug design. A set of analogues were designed from a known inhibitor Quinacrine Mustard (QUM) to identify the effective inhibitor against this enzyme. Further, the pharmacoinformatics elucidation and structural properties of designed inhibitor proposed effective drug candidates against Chagas disease. Molecular docking study suggests that a designed inhibitor has higher binding affinity in both crystal and modeled TryR and also poses similar interacting residues as of crystal TryR-QUM complex structure. The comparative studies based on in silico prediction proposed an enzyme-inhibitor complex which could be effective to control the disease activity. So our in silico analysis based on TryR built model, Pharmacophore and docking analysis might play an important role for the development of novel therapy for Chagas disease. But both animal model experiments and clinical trials must be done to confirm the efficacy of the therapy.     

PIXE and EMP analyses of volcanites from Nea Kameni island (Aegean Sea,Greece)

The major and trace element compositions of several minerals and their surrounding groundmass in the volcanic rocks from the post-caldera Nea-Kameni island of the Santorini volcanic complex, Aegean Sea, have been determined, in-situ with particle-induced X-ray emission (PIXE) and wavelength dispersive X-ray analysis with an electron microprobe (EMP).The lavas are typically calc-alkaline dacites. All samples are porphyritic with a phenocryst mineralogy dominated by plagioclase, augite, hyperstene and Ti-magnetite. The phenocrysts range in size from 200 m to 2.5 mm.The PIXE and EMP analyses were done on sections polished with diamond paste. They were sufficiently thick ( 100 m) to stop the 2.7 MeV protons used for the analysis and yet thin enough for individual minerals to be seen with transmitted light. The specific minerals and groundmass areas to be analyzed had been selected and marked through conventional microscopic examination prior to analysis.Solid/liquid partition coefficients, which depend much less significantly on the method for determining the concentrations, were calculated from the element abundances in phenocrysts and corresponding groundmass.     

Molecular Inclusion Properties of Hydrophobic Organic Compounds by a Modified β-Cyclodextrin Intercalated within a Layered Double Hydroxide

A study was conducted to evaluate the inclusion properties of various nonionic hydrophobic organic compounds by a novel intercalate derived from magnesium-aluminum layered double hydroxide (Mg/Al LDH) and carboxymethyl--cyclodextrin with a degree of substitution of 3 [CMCD(3)]. The isotherm sorption results at 25 °C showed that the CMCD(3)-Mg/Al LDH intercalate could retain all the organic compounds (trichloroethylene, tetrachloroethylene, benzene, toluene, p-, o-, m-xylene, ethylbenzene, 1,2,3-trichlorobenzene, naphthalene) studied and its sorption affinity for organic compounds was positively related to their hydrophobicities. The host-guest interaction was attributed to a partition process of the organic compounds into cyclodextrin cavities as well as intermolecular pores. A stereoselective interaction might also be involved due to the intercalation of CMCD(3) within Mg/Al LDH interlayers.     

Preparative Liquid Chromatography and Centrifugal Partition Chromatography for Purification of New Anticancer Precursors

In organic synthesis, the purification of reactional intermediates or final products is generally carried out by normal phase flash chromatography. However, for dihydrodipyridopyrazines, a new family of antitumor agents, the efficiency of this technique is too low to achieve the purification of the isomer mixture. Purification of the DHDPP isomer mixture has therefore been studied using preparative liquid chromatography. With the stationary phase used in flash chromatography, PLC provides greater efficiency and allows to increase the mobile phase flow rate. A complete study of preparative purification was performed, including that of compounds solubility and analytical optimization. This work has allowed to lower the overlap between the two DHDPP isomers, to greatly reduce the total duration of the process, to increase the purified quantity per run and consequently to greatly improve the throughput of the purification. In addition, this technique can be easily and totally automated. Concurrently, another purification method (centrifugal partition chromatography ), based on acidic constants difference of the two components in two immiscible liquids, was developed. CPC has demonstrated its ability to separate the two DHDPP isomers. Finally, the economic aspects of PLC and CPC results are compared.