Application of chemometrics

Danzer K, Wienke D, Wagner M (1991) Application of chemometric principles for evaluation of emission spectrographic data. Acta Chim Hungar 128 623... 

There are other mysteries in NIR (and other applications of chemometrics) that nonlinearity can also explain. For example, as indicated above, one is the difficulty of transferring calibration models between instruments, even of the same type. Where would our technological world be if a manufacturer of, say, rulers could not reliably transfer the calibration of the unit of length from one ruler to the next ... 

Although the term theoretical techniques in relation to electronic effects may commonly be taken to refer to quantum-mechanical methods, it is appropriate also to mention the application of chemometric procedures to the analysis of large data matrices. This is in a way complementary to analysis through substituent constants based on taking certain systems as standards and applying simple or multiple linear regression. Chemometrics involves the analysis of suitable data matrices through elaborate statistical procedures,... 

Kurt Varmuza was bom in 1942 in Vienna, Austria. He studied chemistry at the Vienna University of Technology, Austria, where he wrote his doctoral thesis on mass spectrometry and his habilitation, which was devoted to the field of chemometrics. His research activities include applications of chemometric methods for spectra-structure relationships in mass spectrometry and infrared spectroscopy, for structure-property relationships, and in computer chemistry, archaeometry (especially with the Tyrolean Iceman), chemical engineering, botany, and cosmo chemistry (mission to a comet). Since 1992, he has been working as a professor at the Vienna University of Technology, currently at the Institute of Chemical Engineering. 

The first step in choosing an experimental design for a given application is to specify the experimental objective. In the application of chemometrics to PAT, the experimental objective most often consists of two parts ... 

Some of the most useful applications of chemometric methods involve the extraction of hidden information in large, complex databases. At first glance, such applications might not seem to be relevant for PAT, until one considers the following ... 

The application of chemometrics to these problems includes three segments analytical quality control method and data base development and modeling Aroclor composition and PCB residues in bird eggs. 

---