New Factorial Designs to Evaluate Chemisorption of Divalent Metals on Aminated Silicas

Adsorption processes of Cu(II), Co(II), and Hg(II) on two aminated silica gel surfaces with immobilized ethylenediamine and diethylenediamine groups were studied by a new 2(3) full factorial design. Two metal quantity levels, temperatures of 25 and 50 degrees C, and silica amounts of 100 and 200 mg were employed. Our study indicates that higher factorial design levels increase adsorption for all metals evaluated, with the exception of the mass parameter. Adsorption is also significantly affected by important antagonistic and synergistic effects involving all factors. Both functionalized silica gel surfaces present higher interactions and good perspectives in preconcentration studies for mercury. The factorial design results are also discussed in terms of some solvation properties for each of the metals studied. Copyright 2001 Academic Press.     

Chiral auxiliary based approach toward the synthesis of C-glycosylated amino acids

[reaction in text] In a chiral auxiliary based method C-glycosylated amino acids can be obtained by a 1,3-dipolar cycloaddition of a chiral glycine equivalent and C-1 allyl- or vinyl-derived carbohydrate building blocks as the key step. The products are formed regio- and diastereoselectively. Reductive cleavage of the N-O bond of the isoxazolidine and of the chiral auxiliary leads to C-glycosylated amino acids. The use of (-)-menthone to (+)-menthone as the auxiliary leads to the corresponding diastereomers.     

Structure elucidation,DNA binding,DFT, molecular docking and cytotoxic activity studies on novel single crystal (E)-1-(2-fluorobenzylidene)thiosemicarbazide

Compound 3 {(E)-1-(2-fluorobenzylidene)thiosemicarbazide} – a new Schiff base of thiosemicarbazide has been synthesized, characterized and reported for crystal structure. Planer side chain in the crystal structure was observed co-planer with aromatic ring plane and molecules were connected into centrosymmetric dimmers via intermolecular hydrogen bonding. DFT geometry optimization and the relevant quantum parameters indicated unstable and reactive nature of compound 3. Experimental and theoretical findings for DNA binding by UV–visible, cyclic voltammetry and molecular docking studies showed consistency in kinetic (K_b) and thermodynamic (ΔG) parameters and that compound 3 significantly interacted with DNA via intercalation. Viscometric analysis further comprehended intercalation as possible binding mode of the compound with DNA and non-denaturing of DNA in the presence of 10% aqueous DMSO. Docked parameters further assured the drug like characteristics of the investigated compound as fit in Lipinski’s criteria. Dose dependant cytotoxic activity of compound 3 against human Huh-7 cell line indicated its anti-cancer potential at 100?µg/ml concentration.     

Impact of operational changes on the scaling factors of radioactive wastes from the IEA-R1 research reactor

Nowadays, the scaling factor methodology is widely used in order to estimate the activity concentration of difficult to measure nuclides in low- and intermediate-level waste from nuclear reactors. However, very few experimental studies evaluate how operational changes in the reactors affect scaling factors. The present work examines the impact of operational changes on the scaling factors that were determined for spent ion-exchange resins and spent activated charcoal permanently withdrawn as radioactive wastes from the water cleanup system of the IEA-R1 nuclear research reactor.     

Ragnar Frisch and interior-point methods

The distinguished econometrician Ragnar Frisch (1895–1973) also played an important role in optimization theory. In fact, he was a pioneer of interior-point methods. This note reconsiders his contribution, relating it to history and modern developments.     

Building the Additive Utility Functions for CAD-UFRJ Evaluation Staff Criteria

This paper presents an application of the UTA method for building utility functions for the evaluation criteria defined by the Staff Evaluation Commission (CAD) of the Rio de Janeiro Federal University (UFRJ). Every year, the CAD-UFRJ gives the staff evaluation results for each Postgraduate Engineering Programme. However, the method used to generate the staff evaluation is assumed unknown. Trying to find the CAD-UFRJ preference structure, the evaluation results supplied by CAD-UFRJ are used to apply the UTA method. Some additional information obtained from the CAD-UFRJ data is incorporated in the optimal solutions analysis.     

Monotonicity and Market Equilibrium

Economic theory relates prices to quantities via ” market curves.” Typically, such curves are monotone, hence they admit functional representations. The latter invoke linear pricing of quantities so as to obtain market values. Specifically, if higher prices call forward greater supply, a convex function, bounded below by market values, represents the resulting supply curve. Likewise, if demand decreases at higher prices, a concave function, bounded above by market values, represents the attending demand curve. In short, grantedmonotonicity, market curves are described by bivariate functions, either convex or concave, appropriately bounded by linear valuations of quantities. The bounding supply (demand) function generates ask (resp. bid)valuations. Exchange and trade, as modelled here, are driven by valuation differentials, called bid-ask spreads. These disappear, and market equilibrium prevails, if all ”inverse market curves” intersect in a common price. A main issue is whether and how market agents, by themselves, may reach such equilibrium. The paper provides positive and constructive answers. As vehicle it contends with bilateral transactions.     

Tree Oriented Pullback

Given two epimorphisms of algebras A ? B and C ? B, we consider the pullback R. We introduce a particular class of algebras, the tree oriented pullback, where there is a close relationship between the category of indecomposable modules of these algebras. This leads us to prove that if A and C are hereditary algebras, then R is a tilted algebra.     

Chemical reducing pedoenvironment in a peatland influenced by hematitic phyllite lithology in the southern Espinhaço chain,Brazil

A peatland in Pinheiro, Diamantina City, Minas Gerais State - Brazil, was sampled at different depths of two profiles with diverse vegetation coverings (grassland field and bush) in order to collect materials that might reflect changes in the chemical states of iron over the peat formation coming from original minerals such as hematitic phyllite surrounding the boggy pedon. Samples collected were chemically, structurally and magnetically characterized. The results show that both series of peats are composed of organic matter and minerals such as quartz, kaolinite, gibbsite, rutile and muscovite. Deeper layers present only quartz. Mössbauer spectroscopy shows that iron is present in both electron states, Fe²⁺ and Fe³⁺, under both vegetations, each valence appearing in the spectra in the form of a discrete doublet. No hyperfine magnetic splitting was observed in any spectrum at room temperature. The Mössbauer subspectral area of Fe²⁺ tended to increase from the upper to deeper layers. Magnetic measurements reveal that the magnetic response of the surface samples is the highest, displaying a sharp decrease below 15 cm and that the magnetic signal is a superposition of (super)paramagnetic and ferrimagnetic contributions. Samples from the grassland field also show a diamagnetic component for the deeper layers.