1H NMR study on the inclusion of bicyclo[3.3.1]nonanes in cyclodextrins

- and -cyclodextrins were found to form 1:1 inclusion complexes with 2,6- and 2,9-substituted bicyclo[3.3.1]nonanes. The binding constants and the structure of the complexes were estimated from titration studies and 2D ROESY experiments.     

The influence of adsorption phenomena on the impedance spectroscopy of an electrolytic cell

In this work we investigate the influence of the adsorption of ions on the impedance spectroscopy of an electrolytic cell. We consider that the positive and negative ions present in a dielectric liquid are adsorbed in the electrode surfaces with different adsorption energies. This difference in adsorption energies causes an additional plateaux in the limit of the low-frequency range of the real part of the impedance Z . In the same frequency range, a second minimum in the imaginary part of Z is predicted. The theory is illustrated with measurements of the impedance of an electrolytic solution in the frequency range from 10^-2Hz to 1KHz. A comparison between the present model and others from the literature to describe the experimental results is also made.     

Electrochemical and spectroscopic characterisation of amphetamine-like drugs: application to the screening of 3,4-methylenedioxymethamphetamine (MDMA) and its synthetic precursors

A complete physicochemical characterisation of MDMA and its synthetic precursors MDA, 3,4-methylenedioxybenzaldehyde (piperonal) and 3,4-methylenedioxy-β-methyl-β-nitrostyrene was carried out through voltammetric assays and Raman spectroscopy combined with theoretical (DFT) calculations. The former provided important analytical redox data, concluding that the oxidative mechanism of the N-demethylation of MDMA involves the removal of an electron from the amino-nitrogen atom, leading to the formation of a primary amine and an aldehyde. The vibrational spectroscopic experiments enable to afford a rapid and reliable detection of this type of compounds, since they yield characteristic spectral patterns that lead to an unequivocal identification.Moreover, the rational synthesis of the drug of abuse 3,4-methylenedioxymethamphetamine (MDMA or “ecstasy”) from one of its most relevant precursors 3,4-methylene-dioxyamphetamine (MDA), is reported. In addition, several approaches for the N-methylation of MDA, a limiting synthetic step, were attempted and the overall yields compared.     

Transport properties of strongly correlated electrons in quantum dots studied with a simple circuit model

Numerical calculations are shown to reproduce the main results of recent experiments involving nonlocal spin control in quantum dots [Craig, Science 304, 565 (2004).]. In particular, the experimentally reported zero-bias-peak splitting is clearly observed in our studies. To understand these results, a simple "circuit model" is introduced and shown to qualitatively describe the experiments. The main idea is that the splitting originates in a Fano antiresonance, which is caused by having one quantum dot side connected in relation to the current's path. This scenario provides an explanation of the results of Craig et al. that is an alternative to the RKKY proposal, also addressed here.     

The regenerative cells during the metamorphosis in the midgut of bees

The midgut epithelium of bees is formed by the digestive cells, responsible for enzyme secretion and nutrient absorption and for small regenerative cells that are placed in nests scattered among the digestive cells. During metamorphosis, the larval midgut epithelium degenerates and a new adult midgut epithelium is built during larval differentiation of regenerative cells. The present work focuses on the midgut epithelial modifications during the post-embryonic development of the stingless bee Melipona quadrifasciata anthidioides worker and the occurrence of regenerative cell proliferation during midgut metamorphosis in order to test the hypothesis that adult midgut epithelium of worker bees results from regenerative cell proliferation during the pupal stage. Regenerative cell proliferation was detected during larval lifespan. Larval aging is followed by an increase in the number and the size of the nests of regenerative cells. Larval epithelium degeneration begins 2 days after the start of defecation process and in this period the nests of regenerative cells are in contact by means of cytoplasmic extension which have many septate desmosomes and gap junctions. The BrdU immunoreactive regenerative cells were found in the prepupae 12 h after BrdU injection, suggesting that regenerative cell population increase during this larval period. Regenerative cell proliferation results in the increase of the regenerative cell population and not in the formation of new digestive cells because the proliferation of regenerative cells would not be enough to reestablish the nests of regenerative cells and at the same time form new adult digestive cells. In this sense the hypothesis that digestive adult cells originate from regenerative cell proliferation during midgut metamorphosis in M. quadrifasciata anthidioides was rejected.     

Haloacetylated enol ethers. 6 [5]. Synthesis of 4,5-trimethylene-4,5-dihydroisoxazoles

The investigation of the effect of the cyclopentane ring on the regiochemistry of the reactions of 2-acetylcyclopentanones 1a-d and β-methoxyvinyl trifluoromethyl ketone derivative 2a with hydroxylamine hydrochloride is reported. The reactions give regiospecifically the 4,5-trimethylene-4,5-dihydroisoxazoles 3a-d in good yields.     

Tunneling rate for superparamagnetic particles by the instanton method

We derive the tunneling rate for paramagnetic molecules in the context of a collective spin model. By means of path integral methods, an analytical expression is derived. Given the very large spins in question (s3000), the observation of magnetization changes due to pure unitary tunnel effects is unlikely.     

On a special class of bicriterion path problems

In this paper we are concerned with a special class of bicriterion path problems. For the considered class of bicriterion problems at least one of the objectives is type MAXMIN. For the other one, besides an objective type MAXMIN also a MINSUM and a MINRATIO type objective are considered. Two algorithms are presented for the considered class of bicriterion path problems. The first one only determines the minimal complete set of nondominated paths and the second one determines the entire set of nondominated paths. Both algorithms can be used for any type of bicriterion path problems, since one of the objectives is type MAXMIN and an algorithm exists to determine the best path for the other objective. Computational statistics for the three types of considered bicriterion path problems are also presented.     

Conformally flat null electromagnetic field

A class of conformally flat solutions for null electromagnetic field is presented. Explicit forms of the field tensors are also given. The null field is characterized by shear-free, twist-free, expansion-free, and geodetic null congruences.