Simulating transient phenomena via residual free bubbles

We derive two stabilized methods for transient equations using static condensation of residual-free bubbles. The methods enhance the stability of the Discontinuous Galerkin method.     

Adaptive Finite Element Analysis of Air Flow Inside Grain Dryers

ABSTRACT

This paper presents a simulation study of air flow inside dryers. An adaptive finite element methodology for two-dimensional problems was developed. This study is the first application of nadaptive techniques to such tupe of problems. The formultion is generic and can be easily extended to three-dimensional analysis. Several dryer configurations were studied in order to verify the efficiency and accuracy of the proposed methodology. Results agreed well with experimental data and show significant imporvements when compared to the conventional finite elements analysis.     

MODELING AND SIMULATION OF AIRFLOW IN SPOUTED BED DRYERS

ABSTRACT

This paper presents an axisymmetric three-dimensional semi-empirical model that describes the airflow in both the spout and annular regions. Both the pressure and air velocity distributions can be calculated at any point inside the dryer. Thus, the effect of the fluid dynamics on the heat and mass transfer coefficients and, consequently, on the drying process, can be evaluated. The finite element method was used to solve the model. Pressure distributions were measured for several conditions in which stable spouted bed flow regime was attained. Simulated pressure distributions agreed well with experimental data.     

Direct Regio‐, Diastereo‐, and Enantioselective Vinylogous Michael Addition of Prochiral 3‐Alkylideneoxindoles to Nitroolefins

3‐Alkylidene‐2‐oxindoles represent a simple, yet enabling subfamily of indole alkaloids, and their ability to react as electron‐poor acceptors has largely been investigated. In contrast, their utility as pronucleophilic synthons remains elusive. In this context, the present article describes the successful execution of the direct, organocatalytic asymmetric Michael addition of prochiral 3‐alkylideneoxindoles to nitroolefins. A variety of γ‐substituted alkylideneoxindoles carrying two stereocenters at both the γ‐ and δ‐carbon sites was assembled with excellent stereoselectivity and without olefin isomerization or stereochemical ablation.     

Access of the substrate to the active site of yeast oxidosqualene cyclase: an inhibition and site-directed mutagenesis approach

A structural model of Saccharomyces cerevisiae oxidosqualene cyclase (SceOSC) suggests that some residues of the conserved sequence Pro-Ala-Glu-Val-Phe-Gly (residues 524-529) belong to a channel constriction that gives access to the active-site cavity. Starting from the SceOSC C457D mutant, which lacks the cysteine residue next to the catalytic Asp456 residue Cys457 has been replaced but Asp456 is still there, we prepared two further mutants where the wild-type residues Ala525 and Glu526 were individually replaced by cysteine. These mutants, especially E526C, were very sensitive to the thiol-reacting agent dodecyl-maleimide. Moreover, both the specific activity and the thermal stability of E526C were severely reduced. A similar decrease of the enzyme functionality was obtained by replacing Glu526 with alanine, while substitution with the conservative residues aspartate or glutamine did not alter catalytic activity. Molecular modeling of the yeast wild-type OSC and mutants on the template structure of human OSC confirms that the channel constriction is an important aspect of the protein structure and suggests a critical structural role for Glu526.     

Phytoextraction technologies for mercury- and chromium-contaminated soil: a review

Mercury and chromium represent two important elements of environmental concern and with a strong impact on human health. Several technologies are available to clean up the environment from these kinds of contaminants, but most of them are costly and difficult to use to get optimum results. Currently, phytoextraction is an effective and affordable technological solution used to extract or remove metals from contaminated soil and water by the use of plants as tools. This technology is environment-friendly and potentially cost-effective. This paper aims to compile some information about the two metals mercury and chromium, their effects and their possible treatment by phytoextraction, a branch of phytoremediation technologies aimed to confront metal/metalloid pollution. © 2019 Society of Chemical Industry     

Rationally designed inhibitors as tools for comparing the mechanism of squalene-hopene cyclase with oxidosqualene cyclase

The inhibition of squalene-hopene cyclase (SHC) (E.C. 5.4.99.-), an enzyme of bacterial membranes catalyzing the formation of pentacyclic sterol-like triterpenes, was studied by using different classes of compounds originally developed as inhibitors of oxidosqualene cyclase (OCS) (E.C. 5.4.99.7), the enzyme of eukaryotes responsible for the formation of tetracyclic precursors of sterols. The mechanism of cyclization of squalene by SHC, beginning with a protonation of the 2,3 double bond by an acidic residue of the enzyme, followed by a series of electrophilic additions of the carbocationic intermediates to the double bonds, is similar to the mechanism of cyclization of 2,3-oxidosqualene by OSC. The inhibitors studied included: (i) analogs of the carbocationic intermediates formed during cyclization, such as aza-analogs of squalene and 2,3-oxidosqualene; (ii) affinity-labeling inhibitors bearing a methylidene reactive group; and (iii) vinyldioxidosqualenes and vinylsulfide derivatives of the substrates. Comparison of the results obtained with the two enzymes, SHC and OSC, showed that many of the most effective inhibitors of OSC were also able to inhibit SHC, while some derivatives acted as specific inhibitors. Differences could be easily explained on the basis of the different substrate specificity of the two enzymes.     

19-Azasqualene-2,3-epoxide and its N-oxide: Metabolic fate and inhibitory effect on sterol biosynthesis in Saccharomyces cerevisiae

19-Azasqualene-2,3-epoxide was more inhibitory than the corresponding N-oxide against 2,3-oxidosqualene cyclase (OSC) solubilized from Saccharomyces cerevisiae (IC₅₀ 7±2 and 25±5 μM, respectively). Both compounds showed a reversible, noncompetitive-type inhibition on solubilized OSC. Different inhibitory properties between the compounds were especially evident when measuring [¹⁴C]acetate incorporation into nonsaponifiable lipids extracted from treated cells. In cells treated with 19-azasqualene-2,3-epoxide at 30 μM, the radioactivity associated with the oxidosqualene fraction, which was negligible in the controls, rose to over 40% of the nonsaponifiable lipids, whereas it remained at a slightly appreciable level in cells treated with the N-oxide derivative under the same conditions. 19-Azasqualene-2,3-epoxide was also more effective than the N-oxide as a cell growth inhibitor (minimal concentration of compound needed to inhibit yeast growth: 45 and >100 μM, respectively). The two inhibitors underwent different metabolic fates in the yeast: while 19-azasqualene-2,3-epoxide did not undergo any transformation, its N-oxide was actively reduced to the corresponding amine in whole and in “ultrasonically stimulated” cells. The N-oxide reductases responsible for this transformation appear to be largely confined within the microsomal fractions and require NADPH for their activity. A possible relationship between the inhibitory properties of the two compounds and their metabolic fates is discussed.     

Strategies to Modulate Specialized Metabolism in Mediterranean Crops: From Molecular Aspects to Field

Plant specialized metabolites (SMs) play an important role in the interaction with the environment and are part of the plant defense response. These natural products are volatile, semi-volatile and non-volatile compounds produced from common building blocks deriving from primary metabolic pathways and rapidly evolved to allow a better adaptation of plants to environmental cues. Specialized metabolites include terpenes, flavonoids, alkaloids, glucosinolates, tannins, resins, etc. that can be used as phytochemicals, food additives, flavoring agents and pharmaceutical compounds. This review will be focused on Mediterranean crop plants as a source of SMs, with a special attention on the strategies that can be used to modulate their production, including abiotic stresses, interaction with beneficial soil microorganisms and novel genetic approaches.     

Programmable CMOS switched-capacitor biquad using quasi-passivealgorithmic DAC's

This paper describes an electrically programmable switched-capacitor (SC) biquad using quasi-passive algorithmic digital-to-analog converters (DAC's). Since only two equal-valued capacitors are needed for programming each capacitance value, the proposed technique offers compact, cost-effective programmability when compared to traditional programming techniques employing binary-weighted capacitor-arrays (C-arrays). A demonstration prototype chip realized in a 1.2 μm CMOS double-metal double-poly technology, and which implements an 8 b programmable SC biquad giving a wide range of lowpass, bandpass and highpass filtering functions, occupies an active area of only 0.38 mm²