AFM study of BSA adlayers on Au stripes

Thin narrow Au stripes suitable for propagating long-range surface plasmon-polaritons were deposited by evaporation and lift-off on a thermal oxide layer on a silicon substrate, and modified by direct adsorption of bovine serum albumin (BSA). Atomic force microscopy (AFM) measurements reveal that BSA adsorbs onto the Au stripes from phosphate buffer solutions forming an adlayer having an average thickness of about 2 nm (surface mass density of about 2 ng/mm²). Comparisons with a simple adsorption model suggest the side-on adsorption of a single monolayer of BSA followed by denaturation and flattening. The BSA-coated stripes have an increased surface roughness compared to a virgin stripe.     

Experimental and computational study on the reactivity of 2,3-bis[(3-pyridylmethyl)amino]-2(Z)-butene-1,4-dinitrile, a key intermediate for the synthesis of tribenzoporphyrazine bearing peripheral methyl(3-pyridylmethyl)amino substituents

Abstract  

An earlier developed alkylating path leading to tetraalkylated diaminomaleonitrile derivatives was explored. Attempts to explain the reactivity of the representative dialkylated diaminomaleonitrile 2,3-bis[(3-pyridylmethyl)amino]-2(Z)-butene-1,4-dinitrile during the alkylation reaction were performed using X-ray and density functional theory (DFT) studies. The condensed Fukui functions accompanied by softness indices were found to be useful in explaining its reactivity observed during the reaction. The values of the Fukui functions and condensed softness for electrophilic attack calculated from Mulliken, L?wdin, and natural population analyses closely corresponded to the experimental observations. When 2,3-bis[(3-pyridylmethyl)amino]-2(Z)-butene-1,4-dinitrile disodium salt was treated with dimethyl sulfate at lower temperatures the alkylation reaction prevailed, whereas at higher temperatures the alkylating agent acted as a hydride anion acceptor, which favored the elimination reaction. The tetraalkylated dinitrile 2,3-bis[methyl(3-pyridylmethyl)amino]-2(Z)-butene-1,4-dinitrile was used in the synthesis of tribenzoporphyrazine bearing methyl(3-pyridylmethyl)amino groups, which was subsequently subjected to solvatochromic and metallation studies. The changes observed during metallation seem to result from the coordination of the 3-pyridyl group by a palladium ion. This could influence the configuration of the methyl(3-pyridylmethyl)amino moiety, causing more effective donation of a lone pair of electrons from peripheral nitrogen to the macrocyclic ring.     

Generalization of the Zlámal condition for simplicial finite elements in ℝ<Superscript><Emphasis Type="Italic">d</Emphasis></Superscript>

The famous Zlámal’s minimum angle condition has been widely used for construction of a regular family of triangulations (containing nondegenerating triangles) as well as in convergence proofs for the finite element method in 2d. In this paper we present and discuss its generalization to simplicial partitions in any space dimension.     

Characterization of reaction products of iron and iron salts and aqueous plant extracts

The complexes formed in aqueous solution as a result of a reaction of iron and iron salts (Fe²⁺ and Fe³⁺) and some plant extracts were analyzed using Mössbauer spectroscopy and Fourier transform infrared. The extracts were obtained from Opuntia elatior mill., Acanthocereus pentagonus (L.) Britton, Mimosa tenuiflora, Caesalpinia coriaria (Jacq.) Willd., Bumbacopsis quinata (Jacq.) Dugand and Acacia mangium Willd., plants growing wildly in different zones of the Isthmus of Panama. Results suggest the formation of mono- and bis-type complexes, and in some cases, the occurrence of a redox reaction. The feasibility of application of the studied extracts as atmospheric corrosion inhibitors is discussed.     

The discrete maximum principle for linear simplicial finite element approximations of a reaction-diffusion problem

This paper provides a sufficient condition for the discrete maximum principle for a fully discrete linear simplicial finite element discretization of a reaction-diffusion problem to hold. It explicitly bounds the dihedral angles and heights of simplices in the finite element partition in terms of the magnitude of the reaction coefficient and the spatial dimension. As a result, it can be computed how small the acute simplices should be for the discrete maximum principle to be valid. Numerical experiments suggest that the bound, which considerably improves a similar bound in [P.G. Ciarlet, P.-A. Raviart, Maximum principle and uniform convergence for the finite element method, Comput. Methods Appl. Mech. Eng. 2 (1973) 17-31.], is in fact sharp.     

Synthesis of Pd-CNT nanocomposites and investigation of their catalytic behavior in the hydrodehalogenation of aryl halides

A catalytic system based on Pd-CNT nanocomposites for the hydrodehalogenation of aryl halides is described. Thiol groups were utilized as linkers to secure the Pd nanoparticles without agglomeration. The Pd-CNT nanocomposites effectively promoted the hydrodehalogenation of aryl halides at a low Pd content (∼2.3%) and in the absence of any ligand. The results suggest that the CNTs could significantly influence the catalytic activities of CNT-supported metal catalysts for hydrodehalogenation.