Structured water molecules near redox cofactors were found recently to accelerate electron-transfer (ET) kinetics in several systems. Theoretical study of interprotein electron transfer across an aqueous interface reveals three distinctive electronic coupling mechanisms that we describe here: (i) a protein-mediated regime when the two proteins are in van der Waals contact; (ii) a structured wat...

Case-based design (CBD) overcomes certain dficulties associated with traditional knowledge-based design systems. When novel designs are created by adapting cases, design integrity can be maintained through careful formulation of adaptation procedures. We describe a prototype design system called case adaptation by dimensionality reasoning (CADRE). Geometrical information is treated through simu...

Wastewaters containing Cu(II) along with ligands are ubiquitous in various industrial sectors. Efficacy of treatment processes for copper removal, especially precipitation, is greatly debilitated by ligands. Chemical reduction being commonly employed for production of metal nanoparticles has also been used for removing copper. Addition of ammonia was reported to be essential for improving coppe...

A modern approach to model reduction in chemical kinetics is often based on the notion of slow invariant manifold. The goal of this paper is to give a comparison of various methods of construction of slow invariant manifolds using a simple Michaelis-Menten catalytic reaction. We explore a recently introduced Method of Invariant Grids (MIG) for iteratively solving the invariance equation. Variou...

This paper describes a simple preparation of single-crystalline Ag-nanoparticles including plates, and wires in water by truncated triangular particles for the first time during the reduction of [Ag(NH₃)₂]⁺ complex with glucose at room temperature. Silver particles were characterized by means of the conventional transmission electron microscopy (TEM) and UV-VIS spectroscopy. Cetyltrimethylammon...

The cathodic polarographic wave observed for solutions of AlCl, in pyridine is due not to reduction of Al(III), but to reduction of the solvent, in which process Al(II1) plays an essential role, apparently by polarizing the pyridine through the formation of a Lewis acid-base adduct with the pyridine nitrogen. Macroscale electrolysis of pyridine solutions of AlCl, at a mercury cathode results in...

We present a new method to analyse and reduce chemical networks and apply this technique to the chemistry in molecular clouds. Using the technique, we investigated the possibility of reducing the number of chemical reactions and species in the UMIST 95 database simultaneously. In addition, we did the same reduction but with the " objective technique " in order to compare both methods. We found ...

The utilization of carbon dioxide (CO2) as a source of carbon in synthetic chemistry has been a practice exploited at the industrial level since the second half of the 19th century for the synthesis of urea [1a] and salicylic acid [1b, c]. CO2 has also long been used for making inorganic carbonates and pigments. A renewed interest in the industrial utilization of CO2 as a source of carbon arose...

Abstract The application of model reduction techniques in the context of dynamic optimization of chemical plants operation is investigated. The focus is on the derivation and use of reduced models for the design and implementation of optimal dynamic operation in large-scale chemical plants. The recommended procedure is to apply the model reduction to individual units or groups of units, followe...