Experimental and theoretical study on the absorption and fluorescence properties of substituted aryl hydrazones of 1,8-naphthalimide

Absorption and fluorescence spectra in acetonitrile for a series of substituted aryl hydrazones of N-hexyl-1,8-naphthalimide are studied with the aim of potential application of the compounds for enzyme activity localization. The influence of the substituents on the spectral characteristics has been evaluated. The absorption and fluorescence energies of substituted aryl-1,8-naphthalimide hydrazones have been calculated with the PCM TDDFT formalism. The M06 and PBE0 functionals, combined with the 6-31+G(d) atomic basis set, have been found to accurately model the excited state properties of the present set of solvated fluorophores. Absorption and fluorescence spectral characteristics have been rationalized in terms of experimental and theoretical electronic indices in order to assess their predictive abilities for application in designing analogues with good emitting properties. An excellent linear dependence is established between the experimental fluorescence and Hammett σ(p)(+) substituent constants and on the other hand σ(p)(+) constants correlate with the theoretically calculated values for the electrostatic potential at nuclei (EPN). A model for predicting the fluorescence properties of substituted hydrazones by means of EPN is drawn, including the polysubstituted derivatives, where Hammett constants are not applicable.     

The aggregation of the merocyanine dyes, depending of the type of the counterions

Counterions affect on the substructures formation in the case of the merocyanine dye, 1-methyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium] hydrogensquarate both in gas and condense phase. Spectroscopically and structural elucidation of these aggregates have been performed, using solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids as a nematic liquid crystal suspension, UV-vis spectroscopy, HPLC tandem ESI mass spectrometry, (1)H and (13)C NMR, TGV and DSC. Quantum chemical DFT calculations have been carried out as well. Experimental and theoretical data are compared with analogous ones of corresponding iodide salt of dye studied.     

Diameter Two Properties,Convexity and Smoothness

We study smoothness and strict convexity of (the bidual) of Banach spaces in the presence of diameter 2 properties.We prove that the strong diameter 2 property prevents the bidual from being strictly convex and being smooth, and we initiate the investigation whether the same is true for the (local) diameter 2 property. We also give characterizations of the following property for a Banach space \({X}\): “For every slice \({S}\) of \({B_X}\) and every norm-one element \({x}\) in \({S}\), there is a point \({y \in S}\) in distance as close to 2 as we want.” Spaces with this property are shown to have non-smooth bidual.     

Locally uniformly rotund renorming and fragmentability

In this paper we characterize those Banach spaces E that admita locally uniformly rotund renorming by means of a linear topologicalcondition that is a particular case of the notion, introducedby J. E. Jayne, I. Namioka and C. A. Rogers, called countablecover by sets of small local diameter. This allows us to developa Decomposition Method and a Transfer Technique to obtain locallyuniformly rotund renormings. 1991 Mathematics Subject Classification:46B20.     

Synthesis of 4-Aryl-2-aminopyridine Derivatives and Related Compounds

A short, efficient, and high-yielding synthesis of 4-aryl-2-aminopyridine derivatives has been developed. The route employs two palladium-catalyzed processes, the Suzuki reaction and the Buchwald–Hartwig amination, as the key steps. The same approach has been used for preparation of the corresponding quinoline derivatives. In addition, a brief study of biological properties showed the anticancer potential of these compounds.     

Reaction of Some Alkenols with Tetrachloromethane

Summary.  The reaction of some alkenols with tetrachloromethane in the presence of a radical initiator was investigated. Regarding the effects of structural features of the starting alkenol (number and position of methyl substituents at the double bond and at the carbinol carbon atom, constitutional relationship between the double bond and the hydroxyl group) there are two possible competing reactions: addition and cyclization. In the case of the simplest alkenols (without substituents and with a more remote double bond) addition occurs; mono- and disubstituted secondary and tertiary Δ⁴- and Δ⁵-alkenols cyclize in high yields to give the corresponding cyclic ethers. Received March 17, 2000. Accepted (revised) May 31, 2000     

Spectroscopic and structural elucidation of merocyanine dye 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate aggregation processes

Structural and spectroscopic elucidation of merocyanine dye, 2,5-[1-metyl-4-[2-(4-hydroxyphenyl)ethenyl)]piridinium]-hexane tetraphenylborate, is performed in gas and condense phase by means of solution and solid-state conventional and linear-polarized IR-spectroscopy of oriented colloids in nematic liquid crystal suspension, UV-vis and fluorescence methods, HPLC MS/MS tandem and ESI mass spectrometry, (1)H, (13)C and (1)H-(1)H COSY NMR, TGV and DSC methods. Quantum chemical DFT calculations are performed for structural optimization and spectroscopic properties prediction.     

Numerical investigation of the plasma processes for propellant heating in electrothermal plasma thruster for nanosatellites

Numerical investigation of the plasma processes in a cylindrical chamber with small dimensions of a novel microwave electrothermal plasma thruster for nanosatellites has been conducted. The absorbed microwave power from the electrons in the plasma column of the surface wave discharge is included in the computational model as a heat source with Gaussian distribution. The computational model takes into account the elastic and inelastic collisions of the electrons with the atoms in the ground state and two excited states (−s, −p) and the processes of recombination and deactivation of the plasma species in the volume and on the walls of the chamber. The computational model includes the flow of neutral gas and the processes in the plasma for effective heating of neutral particles by collisions not only with electrons but also with ions. Selected combinations of input power and propellant mass flow rates are used as initial parameters for the numerical investigation. The results show that at higher mass flow rates the heating of the neutral gas is more effective and at power levels of 4 W and propellant mass flow rate of 3 mg/s the electrothermal plasma thruster demonstrates effective performance and thrust levels in the order of 1 mN.