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Conversion of Fe ions in solution to the solid phase in ferritin concentrates iron required for cell function. The rate of the Fe phase transition in ferritin is tissue specific and reflects the differential expression of two classes of ferritin subunits (H and L). Early stages of mineralization were probed by rapid freeze-quench Mossbauer, at strong fields (up to 8 T), and EPR spectroscopy in an H-type subunit, recombinant frog ferritin; small numbers of Fe (36 moles/mol of protein) were used to increase Fe3+ in mineral precursor forms, At 25 ms, four Fe3+-oxy species (three Fe dimers and one Fe trimer) were identified, These Fe3+-oxy species were found to form at similar rates and decay subsequently to a distinctive superparamagentic species designated the ''young core.'' The rate of oxidation of Fe2+ (1026 s(-1)) corresponded well to the formation constant for the Fe3+- tyrosinate complex (920 s(-1)) observed previously [Waldo, G. S., & Theil, E. C. (1993) Biochemistry 32, 13261] and, coupled with EPR data, indicates that several or possibly all of the Fe3+-oxy species involve tyrosine. The results, combined with previous Mossbauer studies of Y30F human H-type ferritin which showed decreases in several Fe3+ intermediates and stabilization of Fe2+ [Bauminger, E. R., et al. (1993) Biochem, J. 296, 709], emphasize the involvement of tyrosyl residues in the mineralization of H-type ferritins. The subsequent decay of these multiple Fe3+-oxy species to the superparamagnetic mineral suggests that Fe3+ species in different environments may be translocated as intact units from the protein shell into the ferritin cavity where the conversion to a solid mineral occurs.

We discuss issues in the design and implementation of a flexible debugging tool and its integration into a parallel software engineering environment.

{Dodecaheme cytochrome c has been purified from Desulfovibrio (D.) desulfuricans ATCC 27774 cells grown under both nitrate and sulfate-respiring conditions. Therefore, it is likely to play a role in the electron-transfer system of both respiratory chains. Its molecular mass (37 768 kDa) was determined by electrospray mass spectrometry. Its first 39 amino acids were sequenced and a motif was found between amino acids 32 and 37 that seems to exist in all the cytochromes of the c3 type from sulfate-reducing bacteria sequenced at present. The midpoint redox potentials of this cytochrome were estimated to be -68, -120, -248 and -310 mV. Electron paramagnetic resonance spectroscopy of the oxidized cytochrome shows several low-spin components with a g(max) spreading from 3.254 to 2.983. Two crystalline forms were obtained by vapour diffusion from a solution containing 2% PEG 6000 and 0.25-0.75 M acetate buffer pH = 5.5. Both crystals belong to monoclinic space groups: one is PZ,, with a = 61.00

The primary structure of desulfoferrodoxin from Desulfovibrio desulfuricans ATCC 27774, a redox protein with two mononuclear iron sites, was determined by automatic Edman degradation and mass spectrometry of the composing peptides, It contains 125 amino acid residues of which five are cysteines, The first four, Cys-9, Cys-12, Cys-28 and Cys-29, are responsible for the binding of Center I which has a distorted tetrahedral sulfur coordination similar to that found in desulforedoxin from D. gigas, The remaining Cys-115 is proposed to be involved in the coordination of Center II, which is probably octahedrally coordinated with predominantly nitrogen/oxygen containing ligands as previously suggested by Mossbauer and Raman spectroscopy.

{Crystals of the fully oxidized form of desulfoferrodoxin were obtained by vapor diffusion from a solution containing 20% PEG 4000, 0.1 M HEPES buffer, pH 7.5, and 0.2 M CaCl2. Trigonal and/or rectangular prisms could be obtained, depending on the temperature used for the crystal growth. Trigonal prisms belong to the rhombohedral space group R32, with a = 112.5 A and c = 63.2 A; rectangular prisms belong to the monoclinic space group C2, with a = 77.7 A

This communication reports the isolation, purification and characterization of key enzymes involved in dissimilatory sulfate reduction of a sulfate reducing bacterium classified as Desulfovibrio desulfuricans subspecies desulfuricans New Jersey (NCIMB 8313) (Ddd NJ). The chosen strain, originally recovered from a corroding cast iron heat exchanger, was grown in large scale batch cultures. Physico-chemical and spectroscopic studies of the purified enzymes were carried out. These analyses revealed a high degree of similarity between proteins isolated from the DddNJ strain and the homologous proteins obtained from Desulfomicrobium baculatus Norway 4. In view of the results obtained, taxonomic reclassification of Desulfovibrio desulfuricans subspecies desulfuricans New Jersey (NCIMB 8313) into Desulfomicrobium baculatus (New Jersey) is proposed. (C) 1996 Academic Press, Inc.

This paper describes a debugging interface that has been developed for a parallel software engineering environment and that was developed on top of the PVM environment in the scope of the SEPP and HPCTI projects of the COPERNICUS Program. The main goal of this interface is to provide the basic debugging functionalities that are required by some components of that environment. We give special attention to the requirements posed by high-level tools of the environment, and to the need of providing a flexible debugging support layer that can be suitably adapted and extended. We present the system logical architecture and the interface specification of the debugging engine. We discuss its interfacing with other components of the environment, namely a graphical editor for the GRAPNEL visual parallel programming language, and a testing tool. We finally describe current work on the improvement of the debugging engine. Keywords: Debugging, monitoring, parallel processing, software tools.

This paper presents an approach to education in Parallel and Distributed Processing undertaken in the Technical University of Gdansk and Technical University of Wroclaw. The paper gives a detailed structure of the project entitled "Teaching Parallel Processing: Development of Curriculum and Software Tools" which was started in 1994 and will be finish in 1997. Two universities from Poland: Technical University of Gdansk and Technical University of Wroclaw and two universities from EC countries: University Autònoma of Barcelona from Spain and University Nova of Lisbon from Portugal participate in the presented project. The main aim of the project is to develop existing curricula of Computer Science specialisation and to establish specialisation concerned with parallel and distributed processing at Polish universities.

This communication reports the isolation, purification and characterization of key enzymes involved in dissimilatory sulfate reduction of a sulfate reducing bacterium classified as Desulfovibrio desulfuricans subspecies desulfuricans New Jersey (NCIMB 8313) (Ddd NJ). The chosen strain, originally recovered from a corroding cast iron heat exchanger, was grown in large scale batch cultures. Physico-chemical and spectroscopic studies of the purified enzymes were carried out. These analyses revealed a high degree of similarity between proteins isolated from the DddNJ strain and the homologous proteins obtained from Desulfomicrobium baculatus Norway 4. In view of the results obtained, taxonomic reclassification of Desulfovibrio desulfuricans subspecies desulfuricans New Jersey (NCIMB 8313) into Desulfomicrobium baculatus (New Jersey) is proposed. (C) 1996 Academic Press, Inc.

This paper describes a debugging interface that has been developed for a parallel software engineering environment and that was developed on top of the PVM environment in the scope of the SEPP and HPCTI projects of the COPERNICUS Program. The main goal of this interface is to provide the basic debugging functionalities that are required by some components of that environment. We give special attention to the requirements posed by high-level tools of the environment, and to the need of providing a flexible debugging support layer that can be suitably adapted and extended. We present the system logical architecture and the interface specification of the debugging engine. We discuss its interfacing with other components of the environment, namely a graphical editor for the GRAPNEL visual parallel programming language, and a testing tool. We finally describe current work on the improvement of the debugging engine. Keywords: Debugging, monitoring, parallel processing, software tools.

We discuss issues in the design and implementation of a flexible debugging tool and its integration into a parallel software engineering environment.

In this paper we present a study on the electrical characteristics (conductivity, σ and relative dielectric constant, εr) of amorphous silicon nitride (a-SixN1-x) and carbide (a-SixC1-x) films deposited by PECVD, used as dielectric materials in TFT devices, aiming to select the most adequate alloy that lead to improve device performances. Besides that, double stack a-SixN1-x/a-SixC1-x structures were developed and applied as dielectric layers on TFTs, whose performances show to be superior to those ones using single silicon nitride or silicon carbide as dielectric.

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The primary structure of desulfoferrodoxin from Desulfovibrio desulfuricans ATCC 27774, a redox protein with two mononuclear iron sites, was determined by automatic Edman degradation and mass spectrometry of the composing peptides. It contains 125 amino acid residues of which five are cysteines. The first four, Cys-9, Cys-12, Cys-28 and Cys-29, are responsible for the binding of Center I which has a distorted tetrahedral sulfur coordination similar to that found in desulforedoxin from D. gigas. The remaining Cys-115 is proposed to be involved in the coordination of Center II, which is probably octahedrally coordinated with predominantly nitrogen/oxygen containing ligands as previously suggested by Mossbauer and Raman spectroscopy.

SPROUT is a computer program for the rational design of molecules for a range of applications in molecular recognition. Molecular graphs are built in a stepwise fashion by subgraph addition. Several heuristics are being explored to restrict the combinatorial explosion that is inherent in structure generation. These include the use of generalized molecular fragments, called templates, as building blocks. Structure generation consists of two stages: (i) the generation of skeletons from templates that satisfy steric constraints and (ii) the substitution of heteroatoms into skeletons to produce molecules that satisfy other constraints such as electrostatics. The choice and definition of the templates and template joining rules are described together with a description of the atom substitution process.

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Owing to the existing or predictable water deficiencies in the South of Portugal, it is necessary to carry out the appropriate management of water resources, by reducing and/or minimizing the negative impacts of untreated/treated domestic effluents in the aquatic environment. As Portugal has a great diversity of ecoclimatic areas, five different stabilization pond systems were chosen to carry out a control study during one year (from March 1991 to March 1992). According to Pina Manique & Albuquerque the ecological classification of these stations is different, varying from Ibero-mediterranean (continental) up to mediterranean (maritime). The physical and chemical parameters studied were: temperature, pH, dissolved oxygen, conductivity, BOD, COD, nitrates, nitrites, ammonia and total nitrogen, total suspended and volatile solids, total phosphorus and orthophosphates. The microbiological parameters studied were: total and faecal coliforms, faecal Streptococci, Clostridium perfringens and Pseudomonas aeruginosa. The correlations between climatic parameters and the efficiency of the removal of organic matter were analysed.

The analytical values obtained from five WSP systems located in different ecoclimatic zones in the centre and South of Portugal, were subjected to a statistical analysis of K and K20 values (as used in the van Hoff-Arrhenius equation) utilizing an analysis of variance and a vectorial analysis of principal components. Significant differences between K and K20 values in facultative, maturation ponds and in the whole system were verified. The projection of the first principal components of eigenvectors made possible the classification of the stations, showing the existence of similarities and discrepancies in their removal BOD kinetics behaviour. The K20 value must be estimated and taken into account for the design of waste stabilization ponds.

The aim of this study was to evaluate the possibility of the re-use of industrial orange wastes as organic soil fertilizer. The assay was performed with a lettuce variety widely produced and consumed in Portugal and, consequently, with great commercial interest. Lactuca sativa L. (osteolata variety) was cultivated in Mitcherlich pots containing samples of a poor soil of the Algarve region. This soil was prepared with different amounts of either pulp or peel orange-wastes from an orange-juice industry. The wastes were applied according to an increasing amount of nitrogen. The results obtained were submitted to statistical tests, in order to find the relations between the production of fresh and dry matter, and the percentages of nutrients (nitrogen, phosphorous, potassium, calcium, magnesium and iron) that were obtained in the dry matter, with the types and amounts of wastes applied. An increase in the average production of both fresh- and dry-matter with increasing amounts of either pulp or peel wastes applied, and high positive correlation coefficients between the average percentages of nitrogen, phosphorus and potassium obtained in the dry matter with the average production of both fresh- and dry-matter were found. No phytotoxicity was observed.

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