Approximate inverse preconditioning in the parallel solution of sparse eigenproblems

A preconditioned scheme for solving sparse symmetric eigenproblems is proposed. The solution strategy relies upon the DACG algorithm, which is a Preconditioned Conjugate Gradient algorithm for minimizing the Rayleigh Quotient. A comparison with the well established ARPACK code shows that when a small number of the leftmost eigenpairs is to be computed, DACG is more efficient than ARPACK. Effective convergence acceleration of DACG is shown to be performed by a suitable approximate inverse preconditioner (AINV). The performance of such a preconditioner is shown to be safe, i.e. not highly dependent on a drop tolerance parameter. On sequential machines, AINV preconditioning proves a practicable alternative to the effective incomplete Cholesky factorization, and is more efficient than Block Jacobi. Owing to its parallelizability, the AINV preconditioner is exploited for a parallel implementation of the DACG algorithm. Numerical tests account for the high degree of parallelization attainable on a Cray T3E machine and confirm the satisfactory scalability properties of the algorithm. A final comparison with PARPACK shows the (relative) higher efficiency of AINV‐DACG. Copyright © 2000 John Wiley & Sons, Ltd.     

Interaction of H2@C60 and Nitroxide through Conformationally Constrained Peptide Bridges

We synthesized two molecular systems, in which an endofullerene C₆₀, incarcerating one hydrogen molecule (H₂@C₆₀) and a nitroxide radical are connected by a folded 3₁₀‐helical peptide. The difference between the two molecules is the direction of the peptide orientation. The nuclear spin relaxation rates and the para → ortho conversion rate of the incarcerated hydrogen molecule were determined by ¹H NMR spectroscopy. The experimental results were analyzed using DFT‐optimized molecular models. The relaxation rates and the conversion rates of the two peptides fall in the expected distance range. One of the two peptides is particularly rigid and thus ideal to keep the H₂@C₆₀/nitroxide separation, r, as large and controlled as possible, which results in particularly low relaxation and conversion rates. Despite the very similar optimized distance, however, the rates measured with the other peptide are considerably higher and thus are compatible with a shorter effective distance. The results strengthen the outcome of previous investigations that while the para → ortho conversion rates satisfactorily obey the Wigner's theory, the nuclear spin relaxation rates are in excellent agreement with the Solomon–Bloembergen equation predicting a 1/r⁶ dependence.     

Determination of phthalate esters in vegetable oils using direct immersion solid-phase microextraction and fast gas chromatography coupled with triple quadrupole mass spectrometry

Phthalates are a group of synthetic compounds mainly used as plasticizers, which have been classified as endocrine-disrupting chemicals and potential human-cancer causing agents. They can be found in high amounts in foods, deriving mainly from plastic packaging. The analytical determination of these compounds is very challenging since they are ubiquitous. Therefore, minimization of sample manipulation is highly desirable.     

The erbium-doped fiber amplifier: Technology and applications

The basics of active fiber technology and their application to optical amplifiers and lasers are reviewed, with particular reference to the activities of the Italian groups involved in this research. The main uses of optical amplifiers in telecommunications and the perspective of ultrafast soliton fiber lasers are presented and discussed.     

Theory of electron escape from the surface of liquid helium

We have studied the properties of an electron bubble close to the surface of liquid³ He, by using a Density Functional approach. We find that up to an electron-surface distanced ₀ 23 Åthe bubble is stable, while at smaller distances it becomes unstable and bursts. A potential energy barrier /K _B 38°K for the thermal emission of electrons is obtained from our results, in agreement with experiments. Even when the electron-surface distance is larger thand ₀, however, tunneling through the surface layer dominates the electron escape probability. Large deviations of the electron potential energy from its ideal value are found close to the surface. These deviations have a profound effect on the calculated decay rates of the tunneling curent, which are much smaller than those obtained previously and in semi-quantitative agreement with experiments.     

Stability of immobilized amyloglucosidase in the process of cassava starch saccharification

Applied Biochemistry and Biotechnology - The half-life of immobilized amyloglucosidase was determined in a fluidized-bed reactor operating continuously with a 30% w/v liquefied cassava starch...     

Methodological factors influencing measurement and processing of plasma reelin in humans

Background

Reelin, intensively studied as an extracellular protein that regulates brain development, is also expressed in a variety of tissues and a circulating pool of reelin exists in adult mammals. Here we describe the methodological and biological foundation for carrying out and interpreting clinical studies of plasma reelin.

Results

Reelin in human plasma was sensitive to proteolysis, freeze-thawing and heating during long-term storage, sample preparation and electrophoresis. Reelin in plasma was a dimer under denaturing conditions. Boiling of samples resulted in laddering, suggesting that each of the 8 repeats expressed in reelin contains a heat-labile covalent bond susceptible to breakage. Urinary-type and tissue-type plasminogen activator converted reelin to a discrete 310 kDa fragment co-migrating with the major immunoreactive reelin fragment seen in plasma and also detected in brain. (In contrast, plasmin produced a spectrum of smaller unstable reelin fragments.) We examined archival plasma of 10 pairs of age-matched male individuals differing in repeat length of a CGG repeat polymorphism of the 5'-untranslated region of the reelin gene (both alleles < 11 repeats vs. one allele having >11 repeats). Reelin 310 kDa band content was lower in subjects having the long repeats in all 10 pairs, by 25% on average (p < 0.001). In contrast, no difference was noted for amyloid precursor protein.

Conclusions

Our studies indicate the need for caution in measuring reelin in archival blood samples, and suggest that assays of plasma reelin should take into account three dimensions that might vary independently: a) the total amount of reelin protein; b) the relative amounts of reelin vs. its proteolytic processing products; and c) the aggregation state of the native protein. Reelin-plasminogen activator interactions may affect their roles in synaptic plasticity. Our results also suggest that the human CGG repeat polymorphism affects reelin gene expression, and may affect susceptibility to human disease.