Applications Perspective

Lipophilicity correlations with ADMET properties are often promising when marketed or well-characterized compounds are utihzed in the training set Even when structurally diverse sets of marketed dmgs are chosen, the common denomi- 

A CRO may also allow for the in-house introduction of specialized lipophilic scales by transferring routine measurements. While the octanol-water scale is widely applied, it may be advantageous to utilize alternative scales for specific QSAR models. Solvent systems such as alkane or chloroform and biomimetic stationary phases on HPLC columns have both been advocated. Seydel [65] recently reviewed the suitabihty of various systems to describe partitioning into membranes. Through several examples, he concludes that drug-membrane interaction as it relates to transport, distribution and efficacy cannot be well characterized by partition coefficients in bulk solvents alone, including octanol. However, octanol-water partition coefficients will persist in valuable databases and decades of QSAR studies. 

The pH-partition theory or nonionic permeability hypothesis was first described by Jacobs in 1940 [66]. According to this concept, only neutral, preferably nonpolar compounds are able to cross biological membranes. The transcellular permeability pH-profile is then essentially characterized by the membrane partition coefficient and the pKa of the compound. The simplest quantitative description of membrane permeation is given by  

Seventy years later, this theory largely holds true, although periodically challenged [67, 68]. Observation of transmembrane permeability of ionic species was initially explained by the formation of neutral ion-pair [69, 70]. A comprehensive review of the physicochemical properties influencing permeation has been written by Malkia et al. [5]. The reality is that, despite many studies, the effect of ionization on permeation is still a matter of discussion and active research. In contrast, it became clear that bulk-phase partitioning measurements are not adequate to describe bilayer partitioning [71-73]. 

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In this section, we will begin by discussing overall process designs and process alternatives. Most of the designs come from processes patented by EBC, although other players have contributed recently as well. The alterations to processes come from variations in the raw material to be desulfurized, (diesel vs. crude oil), or from point of application perspective (before or after HDS, in oil field vs. in refinery, etc.) or from changes to reaction schemes (complete desulfurization vs. stopping at an intermediate... 

Kim, K.H., Greco, G., Novellino, E.A Critical Review of Recent CoMFA Applications. Perspect. Drug Discov. Des. 1998, 72, 257-315. 

Karl Unterrainer, Photon-Assisted Tunneling in Semiconductor Quantum Structures P. Haring Bolivar, T. Dekorsy, and H. Kurz, Optically Excited Bloch Oscillations-Fundamentals and Application Perspectives... 

The discovery in the early 80 s of titanium silicalites [62-64] opened the new application perspective of zeolitic materials as oxidation catalysts. Several reactions of partial oxidation of organic reactants using dilute solutions of hydrogen peroxide could for the first time be performed selectively in very mild conditions. Other elements inserted in the lattice of silicalites have since been shown to have similarly interesting catalytic properties including, vanadium, zirconium, chromium and more recently tin and arsenic [65]. Titanium silicalites with both MFI (TS-1) and MEL (TS-2) structures have however been the object of more attention and they still seem to display unmatched properties. Indeed some of these reactions like the oxyfunctionalization of alkanes [66-69] by H2O2 are not activated by other Ti containing catalysts (with the exception of Ti-Al-Beta [70]). The same situation... 

In large-scale scientific computing, including MD simulations, the most performance critical parameters of the parallel computer hardware from an application perspective are ... 

Butler, D., Ku, J. and Swanson, T., 2002, Eoop Heat Pipes and Capilary Pump Eoops - an Application Perspective, Space Technology and Applications International Forum-STAIF, Albuquerque, NM, pp.49-56. 

Synthesis and application perspectives of immobilized porphyrins 04MI13. 

Abstract Ionic liquids as green solvents have shown important application in extraction and separation of metals. In this chapter, the new application perspective and the important fundamental and applied studies of the extraction and separation of metals in ionic liquids which include metal oxide processing, mineral processing, electrodeposition of metals (especially reactive metals such as Al, Mg, and Ti), and extraction of metal ions are presented. 

Photochemical surface reactions of polymer systems are an important field not only from the point of view of micro-electronic materials processing, but also from a more general scientific and materials application perspective. We have reviewed our studies in this field, which include investigations of excimer laser ablation, studies of the photo-oxidation of polymer surfaces, and the use of surface cross-linking and surface polymer depositions for microlithographic applications. With the increasing miniaturization of microelectronic devices, the fundamental and the applied aspects of surface photochemistry of polymers becomes increasingly important. 

Microemulsions Background, New Concepts, Applications, Perspectives. Edited by Cosima Stubenrauch 2009 Blackwell Publishing Ltd. ISBN 978-1-405-16782-6... 

Microemulsions background, new concepts, applications, perspectives/edited by Cosima Stubenrauch. - 1st ed. p. cm... 

Stahl M. Modifications of the scoring function in FlexX for virtual screening applications. Perspect Drug Discov Des 2000 20 83-98. 

In this context we are investigating the optical amplification properties of trivalent lanthanide ions doped into the oxyfluoride glass ceramics, with the purpose of extending the knowledge and the application perspective of this material. In this paper we present the results of a series of pump and probe experiments carried out on oxyfluoride glass ceramics activated with Tm -Yb. ... 

All these experiments demonstrate the high efficiency of hypercrosslinked polystyrene-type adsorbing materials in the capacity of hemosorbents and enterosorbents with broad application perspectives. 

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