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Thermodynamic modelling of Ag–Si nanophase diagram including shape effect
The CALPHAD method is an especially effective method to calculate the nanophase diagram of systems by combining the thermodynamic database for the...
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Carbene Complexes of Heme Proteins and Iron Porphyrin Models
The possible formation of carbene complexes of cytochromes P450 enzymes in various metabolisms of xenobiotics is first described. In view of these...
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Ferrocene–Peptide Bioconjugates
This chapter sketches an outline of ferrocene–peptide bioconjugates. A variety of ferrocene–peptide bioconjugates have been designed to induce...
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Catalytic Nickel–Iron–Sulfur Clusters: From Minerals to Enzymes
The geochemical theory of the origin of life proposes that primordial, pre-biotic reactions were carried out in a metal-sulfide-rich environment...
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Microwave-Assisted Synthesis and Functionalization of 2-Pyridones, 2-Quinolones and Other Ring-Fused 2-Pyridones
2-pyridones are important heterocycles with great applicability in medicinal chemistry and this core structure can be found in compounds with...
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Applications of Flexible Molecular Descriptors in the QSPR–QSAR Study of Heterocyclic Drugs
Various formulations of optimal descriptors introduced by different authors during the last 10 years are discussed for the special case of...
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QSAR and Molecular Modeling Studies of HIV Protease Inhibitors
Acquired immunodeficiency syndrome (AIDS) and its related disorders, caused by retrovirus human immunodeficiency virus (HIV) are a major health...
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Microwave-Assisted Synthesis of Sulfur and Nitrogen-Containing Heterocycles
This chapter aims to review recent developments in the synthesis of sulfur and nitrogen-containing heteroaromatic compounds under conditions that...
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The Chemistry of 2-(1H)-Pyrazinones in Solution and on Solid Support
An overview on the microwave-enhanced synthesis and decoration of the 2(1H)-pyrazinone system is presented. Scaffold decoration using...
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In silico Studies on PPARγ Agonistic Heterocyclic Systems
Several heterocyclic derivatives like oxazolidinediones, thiazolidinediones, tetarazoles, phenoxazines, etc. are being developed for the treatment...
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Manganese(III)-Based Peroxidation of Alkenes to Heterocycles
Synthesis of endoperoxides and hydroperoxides using tris(2,4-pentanedionato)manganese(III) or manganese(III) acetate is described. The reaction of...
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Phase behavior of phytanyl-chained akylglycoside/water systems
The aqueous phase behavior of novel alkylglycosides, AGs, that have a 3,7,11,15-tetramethylhexadecyl (phytanyl) group as their hydrophobic part was...
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Adsolubilization by mixtures of ionic and non-ionic surfactants
The adsolubilization of 2-naphthol by surfactant mixtures of ionic and non-ionic surfactants has been investigated for three systems; sodium dodecyl...
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Salt-induced aggregation in cationic liposome suspensions
The simple salt-induced aggregation of small unilamellar dioleoyltrimethylammoniumpropane [DOTAP] vesicles is investigated by measuring the change in...
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Enzymatic activity of lipase entrapped in CTAB/water/pentanol/hexane reverse micelles: a functional and microstructural investigation
The lipase VII (from Candida rugosa) activity was studied as a function of the content of pentanol and water in cethyltrimethylammonium bromide...
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Perfluoropolyether carboxylic salts in micellar solution and O/W microemulsions
High purity laboratory-scale samples of Cl(C3F6O) n CF2COOX salts are examined for their micellization in water, with n...
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5. Simulation of Active and Nonlinear Photonic Nano-Materials in the Finite-Difference Time-Domain (FDTD) Framework
A numerical method is presented that unites three-dimensional finite-differnce time-domain (FDTD) computer simulations of active, nonlinear photonic...
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13. Parallel Implementation Strategiesfor Algorithms from Scientific Computing
Many applications from scientific computing are computationally intensive and can therefore benefit from a realization on a parallel or a distributed...
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Probe entrapment by vesicular systems in relation with the properties of the amphiphilic film
Two different vesicular systems were investigated as regards their ability to substantially retain a hydrophilic probe. The first system was a series...
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Self-assembly of homogeneous systems
The circle packings including non-periodic packings can be analysed for physical and thermodynamic stability for a triangular net with T 4=3–6...