Treatment of brines by combined Fenton's reagent-aerobic biodegradation. II. Process modelling

Process modelling of the integrated Fenton's reagent-aerobic biodegradation system has been carried out by considering a detailed reaction mechanism for the chemical oxidation step and the generalised Monod equation for the biological treatment. Chemical oxygen demand has been contemplated as a pseudo-component for simulation purposes. The proposed mechanism takes into consideration different features experimentally found. Thus, the inefficient hydrogen peroxide decomposition into oxygen and water, the influence of temperature and other operating variables and the role of oxygen have been considered. The aerobic biodegradation of the effluent after the chemical oxidation has taken place has been well simulated by Monod equation with no inhibitory terms. Dependency on temperature has been correlated by Arrhenius expression.     

Invariant-driven specifications in Maude

This work presents a general mechanism for executing specifications that comply with given invariants, which may be expressed in different formalisms and logics. We exploit Maude’s reflective capabilities and its properties as a general semantic framework to provide a generic strategy that allows us to execute Maude specifications taking into account user-defined invariants. The strategy is parameterized by the invariants and by the logic in which such invariants are expressed. We experiment with different logics, providing examples for propositional logic, (finite future time) linear temporal logic and metric temporal logic.     

A DSS for integrated distribution of empty and full containers

A DSS integrating empty and full containers transshipment operations is presented, addressing the typically unbalanced export/import containers trading problem. The problem is modeled as a network, where nodes represent customers, leasing companies, harbors and warehouses, while arcs represent transportation routes. The underlying mathematical model operates in stages, first prioritizing and adjusting full containers demands considering available empty containers supplies, and then statically optimizing costs. Transportation routes are registered and dynamically controlled, cyclically, for a given time horizon. The DSS is flexible, allowing several parameters to be configured. Experimental examples using randomly generated parameters were conducted to evaluate the effectiveness of the system.     

C for Econometricians

Fortran has long been the mother-tongue of the scientific community. This note looks at the C programming language from the viewpoint of numerical computing with the emphasis placed on econometric applications. C can be used as a replacement for other lower level programming languages, and also a replacement or as a complement to higher level matrix programming languages such as GAUSS, MATLAB, Ox, and S-PLUS.     

Interactions of <Emphasis Type="Italic">Bacillus mojavensis</Emphasis> and <Emphasis Type="Italic">Fusarium verticillioides</Emphasis> with a Benzoxazolinone (BOA) and its Transformation Product,APO

The benzoxazolinones, specifically benzoxazolin-2(3H)-one (BOA), are important transformation products of the benzoxazinones that can serve as allelochemicals providing resistance to maize from pathogenic bacteria, fungi, and insects. However, maize pathogens such as Fusarium verticillioides are capable of detoxifying the benzoxazolinones to 2-aminophenol (AP), which is converted to the less toxic N-(2-hydroxyphenyl) malonamic acid (HPMA) and 2-acetamidophenol (HPAA). As biocontrol strategies that utilize a species of endophytic bacterium, Bacillus mojavensis, are considered efficacious as a control of this Fusarium species, the in vitro transformation and effects of BOA on growth of this bacterium was examined relative to its interaction with strains of F. verticillioides. The results showed that a red pigment was produced and accumulated only on BOA-amended media when wild type and the progeny of genetic crosses of F. verticillioides are cultured in the presence of the bacterium. The pigment was identified as 2-amino-3H-phenoxazin-3-one (APO), which is a stable product. The results indicate that the bacterium interacts with the fungus preventing the usual transformation of AP to the nontoxic HPMA, resulting in the accumulation of higher amounts of APO than when the fungus is cultured alone. APO is highly toxic to F. verticillioides and other organisms. Thus, an enhanced biocontrol is suggested by this in vitro study.     

Determination of the bound conformation of a competitive nanomolar inhibitor of mycobacterium tuberculosis type II dehydroquinase by NMR spectroscopy

The synergy between tuberculosis and the AIDS epidemic, along with the surge of multidrug-resistant isolates of M. tuberculosis, has reaffirmed tuberculosis as a primary public health threat. It is therefore necessary to discover new, safe, and more efficient antibiotics against this disease. On the other hand, mapping the dynamic interactions of inhibitors of a target protein can provide information for the development of more potent inhibitors and consequently, more potent potential drugs. In this context, the conformational binding of our previously reported nanomolar inhibitor of M. tuberculosis type II dehydroquinase, the 3-nitrophenyl derivative 1, was studied using saturation transfer difference (STD) and transferred NOESY experiments. These studies have shown that in the bound state, one conformation of those present in solution of the competitive nanomolar inhibitor 3-nitrophenyl derivative 1 is selected. In the bound conformation, the aromatic ring is slightly shifted from coplanarity, with the double bond and the nitro group of 1 oriented towards the double bond side.     

General contribution of nonspecific interactions to fluorescence intensity

Many chemical compounds, including nonfluorescent ones, induce changes in the fluorescence spectra of certain probes, such as berberine cation and Reichardt's betaine, both in the absence and the presence of solvent, that affect almost exclusively emission intensity. In this work, the application of fluorescence detection by intensity changes (FDIC) to HPLC and TLC chromatographic systems with fluorescence detectors has been studied. FDIC detection is of special interest in detecting nonfluorescent analytes, either in HPLC or in TLC mode. It does not involve covalent interactions, and the dielectric permittivity (epsilon) of the medium plays an important role. The balance between nonspecific and specific interactions produces either an increase or a decrease in fluorescence intensity. Therefore, the influence of chromatographic conditions and chemical structure of analytes on the sign and magnitude of fluorescence peaks for sample detection in HPLC and TLC systems has been discussed. In general, probe nature and concentration determine response and detection sensitivity for a given sample in TLC and HPLC. As solubility and fluorescence properties in solvents determine the operating conditions for a FDIC probe in HPLC mode, nature and flows of mobile phase and solvent are important for chromatographic response and detection sensitivity.     

Magnetic resonance compatibility of multichannel silicon microelectrode systems for neural recording and stimulation: design criteria, tests, and recommendations

Magnetic resonance (MR) compatibility of biomedical implants and devices represents a challenge for designers and potential risks for users. This paper addresses these problems and presents the first MR-compatible multichannel silicon chronic microelectrode system, used for recording and electrical stimulation of the central nervous system for animal models. A standard chronic assembly, from the Center for Neural Communication Technology at the University of Michigan, was tested on a 2 Tesla magnet to detect forces, heating, and image distortions, and modified to minimize or eliminate susceptibility artifacts, tissue damage, and electrode displacement, maintaining good image quality and safety to the animals. Multiple commercial connectors were tested for MR compatibility and several options for the reference electrode were also tested to minimize image artifacts and provide a stable biocompatible reference for shortand long-term neural recordings. Different holding screws were tested to anchor the microelectrode assembly on the top of the skull. The final selection of this part was based on MR-compatibility, biocompatibility, durability, and mechanical and chemical stability. The required adaptor to interconnect the MR-compatible microelectrode with standard data acquisition systems was also designed and fabricated. The final design is fully MR-compatible and has been successfully tested on guinea pigs.