High throughput spectroscopy

L. M. Logan, Signal-to-noise enhancement of Fourier transform spectroscopy (FTS) by electrical filter compensation of slide velocity errors, in Multiplex and/or High Throughput Spectroscopy, G. A. Vanasse, Ed., Society of Photo-Optical Instrumentation Engineers, Bellingham, WA, 1979, Vol. 191, p. 110. 

Structural genomics is the systematic effort to gain a complete structural description of a defined set of molecules, ultimately for an organism s entire proteome. Structural genomics projects apply X-ray crystallography and NMR spectroscopy in a high-throughput manner. 

Kubanek, P., Busch, O., Thomson, S. et al. (2004) Imaging reflection IR spectroscopy as a tool to achieve higher integration for high-throughput experimentation in catalysis research. J. Comb. Chem., 6, 420. 

Snively, C.M. and Lauterbach, J. (2002) Sampling accessories for the high-throughput analysis of combinatorial libraries using spectral imaging. Spectroscopy, 17, 26. 

Birkert O., Gauglitz G., Development of an assay for label-free high-throughput screening of thrombin inhibitors by use of reflectometric interference spectroscopy, AnalBioanal Chem 2002 372 141-147. 

Raman spectroscopy is emerging as a powerful analytical tool in the pharmaceutical industry, both in PAT and in qualitative and quantitative analyses of pharmaceuticals. Reviews of analyses of pharmaceuticals by Raman spectroscopy have been published.158 159 Applications include identification of raw materials, quantification of APIs in different formulations, polymorphic screening, and support of chemical development process scale-up. Recently published applications of Raman spectroscopy in high-throughput pharmaceutical analyses include determination of APIs in pharmaceutical liquids,160,161 suspensions,162 163 ointments,164 gel and patch formulations,165 and tablets and capsules.166-172... 

Vukjovic et al.199 recently proposed a simple, fast, sensitive, and low-cost procedure based on solid phase spectrophotometric (SPS) and multicomponent analysis by multiple linear regression (MA) to determine traces of heavy metals in pharmaceuticals. Other spectroscopic techniques employed for high-throughput pharmaceutical analysis include laser-induced breakdown spectroscopy (LIBS),200 201 fluorescence spectroscopy,202 204 diffusive reflectance spectroscopy,205 laser-based nephelometry,206 automated polarized light microscopy,207 and laser diffraction and image analysis.208... 

NIR-CI instrumentation is rugged and flexible, suitable for both the laboratory and manufacturing environment. Therefore analysis methods developed in the laboratory can often be tailored for implementation near-line or at-line. NIR-CI is also a massively parallel approach to NIR spectroscopy, making the technique well suited for high throughput applications. 

Edge Spectroscopy (XANES) can be used to estimate the expected absorption energy of the anomalous atoms. Eor example, SGX has determined the energy that corresponds to the maximum absorption of X-rays by pure selenomethionine. This value is used for all experiments that utilize selenomethionine to determine the required phases. With this approach, the limited X-ray lifetime of protein crystals can be devoted to determination of diffraction. In addition to preserving crystals, this approach maximizes the time devoted to data-collection in high-throughput mode. 

The first high-throughput ee assay used in the directed evolution of enantioselective enzymes was based on UV/Vis spectroscopy (16,74). It is a crude but useful screening system that is restricted to the hydrolytic kinetic resolution of racemic / -nitrophenyl esters catalyzed by lipases or esterases. The development of this assay arose from the desire to evolve highly enantioselective mutants of the lipase from Pseudomonas aeruginosa as potential biocatalysts in the hydrolytic kinetic resolution of the chiral ester rac-. The wild type leads to an E value of only 1.1 in slight... 

Davis RD, Bur AJ, McBearty M et al. (2004) Dielectric spectroscopy during extrusion processing of polymer nanocomposites a high-throughput processing/characterization method to measure layered silicate content and exfoliation. Polymer 45 6487-6493... 

Tuchbreiter A, Marquardt J, Zimmermann J et al. (2001) High-throughput evaluation of olefin copolymer composition by means of attenuated total reflection fourier transform infrared spectroscopy. J Comb Chem 3 598-603... 

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