Ketene dithioacetal derivatives of 1-phenyl-3,5-dioxopyrazolidine. Synthesis and NMR characterization

1-Phenyl-3,5-dioxopyrazolidine 1 reacts with carbon disufide and alkyl halides in presence of excess of sodium acetate in dimethylformamide to afford the ketene dithioacetals 3a-h . The ¹³C chemical shift assignments of these compounds were made on the basis of two-dimensional nmr studies performed on the N-methylketene dithioacetal derivative 4.     

Theoretical investigation of excited states of molecules. An application on the nitrogen molecule

Diverse existing lines for the calculation of excited states are exposed, with an emphasis on those methods that consider both types of correlation energy: the dynamic and the non-dynamic one. We analyze the possibility of to calculate the dynamic correlation energy using a correlation energy density functional applied to a multi-determinantal wavefunction, which would include the non-dynamic correlation energy, versus the use of mono-determinantal wavefunctions, which are not able to include the long-range correlation energy, and versus the use of variational or perturbative calculations from multi-determinantal wavefunctions, with their excessive computational cost. The results obtained with several methods are compared. Contribution to the Serafin Fraga Memorial Issue.     

Electrochemical genosensing properties of gold nanoparticle–carbon nanotube hybrid

We have investigated the electrochemical genosensing properties of gold nanoparticle–carbon nanotube hybrid. Thiolated oligonucleotide probes and mercaptohexanol were self-assembled onto the Au–CNT hybrid. The hybridization events of target oligonucleotides are monitored using electrochemical impedance spectroscopy, cyclic voltammetry and a.c. voltammetry techniques. A redox-active mediator is used to detect the oxidation of guanine residues. The as-fabricated genosensor is able to differentiate between complementary and mismatched hybridizations, relying on the oxidation current of the guanine residues mediated via .     

Photodegradation of a 1,3,4-thiadiazole-urea herbicide. Isolation,characterization, X-ray crystal structure and synthesis of photoproducts

The photodegradation of 1,3-dimethyl-1-(2-(3-fluorobenzylthio)-1,3,4-thiadiazol-5-yl)urea as a thin film and in solution is described. The two photoproducts from thin-film photolysis were characterized by spectral and synthetic methods. The X-ray crystal structure of one of the photoproducts is also reported. The rearrangements were shown to involve an S-to-N benzyl migration, followed by a sulfur-oxygen substitution.     

Spectrafluorimetric method for the rapid screening of toxic heavy metals in water samples

A fast and inexpensive sensitive screening test for recognising potential wastewater contamination by the presence of highly toxic heavy metals is described. The test is based on the reaction of the toxic heavy metals Hg(II), Cd(II), Pb(II) and Ag(I) with 6-mercaptopurine (6-MP) to produce highly fluorescent complexes.Optimum experimental conditions include a buffer of pH 7.2 (0.1 M citric acid/0.2 M Na₂HPO₄), a chelating reagent concentration of 6×10⁻⁴ M and the addition of 10⁻⁴ M of o-phenanthroline. The fluorescence emitted by the complexes was measured at 380 and 540 nm for excitation and emission wavelengths, respectively.Detection limits of 4, 3, 6 and 3 μg l⁻¹ were achieved for Hg, Cd, Pb and Ag. Relative standard deviation (R.S.D.) were between ±2 and ±6% of the fluorescence signals for five identical samples. Potential interference effects from other heavy metals (Zn, Mn, Co, Fe, Ni and Cu), which could affect the response of the proposed screening test was investigated. Results showed that none of these metals give rise to noticeable fluorescence signals under the above described experimental conditions.Finally, the capability of the proposed heavy metal screening test for the analysis of contaminated water samples is discussed.     

α-羰基硫代甲酰胺与溴的反应研究

报道了α 羰基硫代甲酰胺与溴在三乙胺存在下的反应 ,合成了二 [( 1 芳基亚胺基 1 苯甲酰基 )甲基 ]二硫醚类化合物 ,产率为 60 %～ 65 %.它们的结构经元素分析、红外光谱、核磁共振光谱和质谱分析得到确证     

Action on flag varieties: 2-Dimensional case

LetA be a finite dimensional commutative semisimple algebra over a fieldk and letV be a finitely generatedA-module. We examine the action of the general linear group GL _A (V) on the set of flags ofk-subspaces ofV. Also, let (V, B) be a finitely generated symplectic module overA. We also investigate the action of the symplectic group Sp _A (V, B) on the set of flags ofB-isotropick-subspaces ofV, whereB=°B is thek-symplectic form induced by a nonzerok-linear map :A k. In both cases, the orbits are completely classified in terms of certain integer invariants provided that dim _{k A}=2.This work is partially supported by a KOSEF research grant.