Long wavelength near-infrared transmission spectroscopy of barley seeds using a supercontinuum laser: Prediction of mixed-linkage beta-glucan content.

A supercontinuum laser was used to perform the first transmission measurements on intact seeds with long wavelength near-infrared spectroscopy. A total of 105 barley seeds from five different barley genotypes (Bomi, lys5.f, lys5.

Near-Infrared Spectroscopy Using a Supercontinuum Laser: Application to Long Wavelength Transmission Spectra of Barley Endosperm and Oil.

The supercontinuum laser is a new type of light source, which combines the collimation and intensity of a laser with the broad spectral region of a lamp. Using such a source therefore makes it possible to focus the light onto small sample areas without losing intensity and thus facilitate either rapid or high-intensity measurements. Single seed transmission analysis in the long wavelength (LW) near-infrared (NIR) region is one area that might benefit from a brighter light source such as the supercontinuum laser.

Quantitative structure-activity relationship models for ready biodegradability of chemicals.

The European REACH regulation requires information on ready biodegradation, which is a screening test to assess the biodegradability of chemicals. At the same time REACH encourages the use of alternatives to animal testing which includes predictions from quantitative structure-activity relationship (QSAR) models. The aim of this study was to build QSAR models to predict ready biodegradation of chemicals by using different modeling methods and types of molecular descriptors.

Identification of cytochrome P450 2D6 and 2C9 substrates and inhibitors by QSAR analysis.

This paper presents four new QSAR models for CYP2C9 and CYP2D6 substrate recognition and inhibitor identification based on human clinical data. The models were used to screen a large data set of environmental chemicals for CYP activity, and to analyze the frequency of CYP activity among these compounds. A large fraction of these chemicals were found to be CYP active, and thus potentially capable of affecting human physiology.