Surface chemistry libraries

Various TES-derived estimates of Mars surface chemistry, based on mineral deconvolutions using different spectral libraries, were compiled by McSween et al. (2003). A subsequent spectral study identified 11 compositionally different regions on Mars (Rogers and Christensen, 2007). 

For a problem involving surface chemistry, the next step is to execute the Surface Chemkin Interpreter, which reads the user s symbolic description of the surface-reaction mechanism. Required thermodynamic data can come from the same Thermodynamic Database used by Chemkin or from a separate Thermodynamic Database compiled for surface species. Both Interpreters provide the capability to add to or override the data in the database by user input in the reaction description. The Surface Chemkin Interpreter extracts all needed information about gas-phase species from the Chemkin Linking File. (Thus the Chemkin Interpreter must be executed before the Surface Chemkin Interpreter.) Like the Chemkin Interpreter, the Surface Chemkin Interpreter also provides a printed output and a Linking File. Again, the Surface Linking File is read by an initialization subroutine in the Surface Subroutine Library that makes the surface-reaction mechanism information available to all other subroutines in the Library. 

In the recent past, combinatorial chemistry has revolutionized medicinal chemistry and this approach has emerged as a powerful technique to discover novel materials. For the first time, we have attempted to combine Langmuir monolayer and combinatorial chemistry techniques to create proteinlike su-pramolecular structures. We synthesized a peptide lipid library and three sublibraries and studied their monolayer properties at the air-water interface. It was found that the peptide lipid libraries readily formed stable monolayers at the air-water interface and exhibited different binding activities toward carbohydrate molecules from the aqueous subphase. Our study suggests that combinatorial surface chemistry is a possible novel technique in the design and creation of artificial proteins. 

The surface chemistry of the lipid libraries was studied using surface pressure-area isotherm measurements and spectroscopic techniques. In contrast to traditional Langmuir monolayer studies, the present study used a lipid library instead of one or a few lipids at the air-water interface. Surface pressme-area isotherm measurements show that as a whole, these library and sublibrary samples formed monolayers at the air-water interface (Fig. 6). A question was raised dming the isotherm measmements of these lipid... 

From the experimental studies presented here, we conclude that it is possible to introduce the combinatorial technique in the Langmuir monolayer research. The application of lipid libraries instead of the traditional one or a few lipids for monolayer formation provides a unique approach to generating artificial proteins or other molecular receptors. The supramolecular species with proteinlike structures located on the surface of the monolayer can be readily used for biomimetic sensor development after the deposition of the film on a transducer such as an optic fiber. This combinatorial surface chemistry research may become a very important research area in Langmuir and Langmuir-Blodgett film smdies. 

This research is currently in a very early stage. Much deeper and further investigation is needed. Above all, the feasibility of this novel combinatorial surface chemistry technique needs further experimental evidence. The study of Langmuir monolayers made from lipid library samples is unprecedented in itself and, therefore, requires considerable work in this respect. For ex-... 

On the other hand, there is considerable interest to quantify the similarities between different molecules, in particular, in pharmacology [7], For instance, the search for a new drug may include a comparative analysis of an active molecule with a large molecular library by using combinatorial chemistry. A computational comparison based on the similarity of empirical data (structural parameters, molecular surfaces, thermodynamical data, etc.) is often used as a prescreening. Because the DFT reactivity descriptors measure intrinsic properties of a molecular moiety, they are in fact chemical fingerprints of molecules. These descriptors establish a useful scale of similarity between the members of a large molecular family (see in particular Chapter 15) [18-21],... 

Library of Congress Cataloging in Publication Data. Main entry under title Inorganic and physical chemistry. (Topics in current chemistry 77) Bibliography p. Includes index. CONTENTS Bikerman, J. J. Surface... 

---