Ab initio calculations including solvent effects of the structure of pyrazine, 4-nitropyridine and dicyanobenzenes ion pairs

The potential surfaces of pyrazine, 4-nitropyridine, 1,2-, 1,3-, 1,4- dicyanobenzene radical anions have been calculated within theab initio and electrostatic molecular potential formalism, including the effect of the solvent. These potential surfaces suggest models of ion pairs with alkali cations, which are in agreement with those deduced from related ESR spectra.     

A biogenetically new tetraterpene alcohol from elodea canadensis

On the basis of spectroscopic data structure 1 is proposed for a tetraterpene alcohol isolated from Elodea canadensis. A new biogenetic route is suggested for its formation.     

Highly excited “nuclear molecules”: A way to explain the fluctuations in DBHIC excitation functions. Study of the28Si +28Si colliding system at 5.3 MeV ·A

The properties of the strong fluctuations observed in the excitation functions of Dissipative Binary Heavy Ion Collisions (DBHIC) have been studied for the system²⁸Si+²⁸Si in the energy range 150 MeV ≤E _lab ≤ 156 MeV with 150 keV step laboratory incident energy, by angular distributions and excitation functions measurements. Experimental results are compared to the the recently developed Partially Overlapping Molecular Level Model (POMLM). The parameters of the model have been determined with reasonable accuracy by describing all the quantities characterizing the fluctuations in the excitation functions i.e.: Average Angular Distributions, Energy Autocorrelation Functions, Variances, Angular Correlation Coefficients. The results of the analysis strongly support the idea of a process proceeding through the formation of an highly excited “nuclear molecule”. Experimental data collected at the most forward angles show the effects of strong excitation of a few final channels.     

A new route to 1,4 -diketones and its application to (z)-jasmone and dihydrojasmone synthesis

(Z)-Jasmone ,dihydrojasmone and other 3-methylcyclo=pent-2-en-1-ones are easily synthesized starting from aldehydes and 1-(2-methyl-1,3-dioxolane-2-yl)-2-nitroethane as reagent for 3-ketobutyl anion synthon. Nitro-aldol condensation is the chainlegthening reaction followed by oxidation and denitration via p-toluenesulfonylhydrazones of the corresponding -nitroke=tones. Removal of protecting groups gives 1,4-diketones which are then cyclized with alkali.     

Evaluation by chemical parameters of the pollution state of the agricultural-industrial settlement of the Fucino Plain

In the present work are reported the results of a monitoring on a vast scale, carried out through evaluation of opportune chemical parameters, of the pollution state of the agricultural-industrial settlement of the Fucino Plain. The parameters took into consideration have been the presence of wide consumption pesticides and of ionic species as Cl-, NO2-, NO3-, NH4+, the quantification of the dissolved oxygen, of the temperature, of the conductivity, of pH and eH. Collected data are used for chemometric elaboration. The water systems examined, by means of drawing campaigns carried out at regular intervals in winter, spring, summer, and autumnal seasons, are represented by superficial waters constituting a network of irrigation canals fed by stratum and meteoric waters. In this work are reported the results relative to the drawing campaigns.     

Multiple tandem mass spectrometry-based investigation of the behaviour of some thiazol-benzimidazolones and 2-benzimidazolylsulfanyl ethanones

The behaviour in electrospray conditions of a series of thiazol-benzimidazolones and 2- benzimidazolylsulphanyl ethanones has been studied by means of multiple tandem mass spectrometry experiments. Even though the experimental conditions were the same, different behaviour is observed for the two classes of compounds. In the case of thiazol-benzimidazolones, the formation of a protonated complex with CH3OH employed as solvent is observed, but in the case of 2-benzimidazolylsulphanyl ethanones the formation of MNa+ ions is privileged. This behaviour has been related to molecular structure. The collisionally-induced decompositions of MH+ ions have been rationalised in terms of the Stevenson-Audier and even-electron rules, as well as on the basis of proton affinity data. Thus, protonated thiazol-benzimidazolones undergo facile loss of CO and a series of different decomposition pathways involving cleavage of the thiazolone ring that reflect the structure of the neutral fragments. In contrast, the decompositions of the protonated 2-benzimidazolylsulphanyl ethanones are mainly related to the piperazine moiety, suggesting that the protonation takes place on this substructural unit.     

Some remarks on factoriality of certain hypersurfaces in \mathbb{P}^4

Let V be a reduced and irreducible hypersurface of degree k 3. In this paper we prove that if the singular locus of V consists of ₂ ordinary double points, ₃ ordinary triple points and if ₂ + 4₃ < (k – 1)², then any smooth surface contained in V is a complete intersection on V.Received: 7 January 2004