Polymorphism and luminescence properties of CMONS organic crystals: bulk crystals and nanocrystals confined in gel-glasses

In order to compare the polymorphism of 1-cyano-1-(4-nitrophenyl)-2-(4-methoxyphenyl)ethene CMONS crystallized in solutions to that of CMONS nanocrystals grown in the pores of dense sol-gel matrices, we have first studied the CMONS polymorphism in various solvents which were then used in the nanocrystallization processes. The different polymorphs were characterized by differential scanning calorimetry, X-ray diffraction and absorption as well as luminescence spectroscopies. The differences observed between CMONS powders and CMONS nanocrystals illustrate the role played by the silicate matrices on the polymorphism of CMONS. This matrix effect would be used to stabilize a particular polymorph of an organic phase and thus to adjust the optical properties of the nanocomposite hybrid organic–inorganic material.     

HDD Detector,a New Detection System for Emission Spectroscopy Combining High Dynamic,Fast Acquisition,Continuous Spectrum

Emission lines varie in intensity on a nine orders range of magnitude depending on.     

Modelling the active site of glyceraldehyde-3 phosphate dehydrogenase with the LSCF formalism

In the framework of a theoretical approach to the relationship between structure and reactivity of the catalytic centers of enzymes, glyceraldehyde-3 phosphate dehydrogenase (GAPDH) has been chosen as a model enzyme. In GAPDH, the proximity of His₁₇₆ increases the reactivity of Cys₁₄₉ at neutral pH; however, its presence alone is not sufficient to explain the reactivity of the catalytic Cys. In order to determine which other interactions play an important role, a study of the geometric and electronic structure of the catalytic site has been made using a hybrid quantum mechanics/molecular mechanics local self-consistent field method. This allows the computation of the electronic properties of amino acid residues in subsystems influenced by other parts of the macromolecule. The quantum subsystem was centered on the Cys₁₄₉ residue of GAPDH. The structures of GAPDH taken from the crystallographic database did not include hydrogen atoms and these had to be added taking into account the fact that, in the active site, His₁₇₆ has three tautomeric forms: δ-His protonated, ε-His protonated and His⁺. The results presented here suggest that the most stable His…Cys system in GAPDH is a strongly hydrogen-bonded Cys₁₄₉ ⁻/His₁₇₆ ⁺ ion pair. Received: 24 March 1998 / Accepted: 3 September 1998 / Published online: 23 November 1998     

Evolution equations associated with non-isothermal phase separation: Subdifferential approach

This paper is concerned with a non-isothermal phase separation model, for instance, describing component separation dynamics for a class of binary systems (solid-solid systems). Our model is a couple of nonlinear parabolicPDE's which are possibly degenerate and singular at the same time. It will be shown that our model can be reformulated as a nonlinear evolution equation governed by subdifferential operator in a Hilbert space, and its mathematically basic questions, such as existence and uniqueness, can be handled in the abstract theory of nonlinear evolution equations in Hilbert spaces. Entrata in Redazione il 15 luglio 1997 e, in versione riveduta, il 25 ottobre 1997.     

Cyclic Cohomology and Hopf Algebras

We associate canonically a cyclic module to any Hopf algebra endowed with a modular pair in involution, consisting of a group-like element and a character. This provides the key construction for allowing the extension of cyclic cohomology to Hopf algebras in the nonunimodular case and, further, to developing a theory of characteristic classes for actions of Hopf algebras compatible not only with traces but also with the modular theory of weights. This applies to both ribbon and coribbon algebras as well as to quantum groups and their duals.     

Urothermal Syntheses of Chiral Zincic Benzotriazole-5-carboxylate Frameworks for Iodine Uptake

So far,the synthesis of chiral framework with achiral organic ligand still faces great challenge.Herein,three new coordinated complexes[Zn(btca)Cl]·DMA·N(CH₃)₂(1),[Zn(btca)(Ac^-)]·N(CH₃)₂(2)and[Zn(btca)]·H₂O(3)(DMA=N,N-dimethylacetamide,btca=benzotriazole-5-carboxylate acid)were synthesized via different methods.Single-crystal X-ray diffraction analysis revealed that compounds 1 and 2 were isostructural and showed achiral layer network with fes topology,and 3 presented a chiral three-dimensional framework with eta topology.The result of this work has demonstrated that urothermal synthesis will be promising means of constructing chiral framework with achiral building block.Compound 3 also displayed an excellent property of iodine uptake.     

Synthesis of poly(thio-1,4-phenylene) by oxidative coupling reaction of diphenyl disulfide with potassium persulfate in strongly acidic solutions

The synthesis of poly(thio- 1,4-phenylene) (PPS) at room temperature by the reaction of diphenyl disulfide with potassium persulfate (K₂S₂O₈) in non-basic solvents, in the presence of trifluoromethanesulfonic acid, is reported. The reaction in chlorinated solvents, such as dichloromethane and tetrachloroethane, resulted in partial oxidation of sulfide to sulfoxide and sulfone. On the other hand, the polymerization proceeded well in nitrobenzene and the PPS formed was free of branches, crosslinks and thianthrene units. The molecular weight of the polymers formed in different solvents were in the range 2000–8000. The reaction proceeded under identical conditions with bis(2,6-dimethylphenyl) disulfide as well, but the polymer yield was lower.