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Chemometric Space: Bias and variance

The concepts of bias and variance are simple ones. Bias is a systematic difference, either between a measurement method and the true value or between two measurement methods; variance describes differences that are random, and average to zero when repeated measurements are averaged. Like many simple concepts, they become slightly more complicated when one looks closely. In particular, what is bias and what is variance may depend quite critically on the population over which we are averaging.

Detection of hard vitreous and starchy kernels in amber durum wheat samples using ...

NIR spectroscopy has been successfully used to determine moisture and protein contents in grains while imaging has been successful in determining spatial or morphological characteristics of grains such as size and shape of kernels, and speckiness in noodles. Grading factors, such as kernel vitreousness, that determine value of the grain are seldom uniformly distributed within a sample making spatial information critical in sample analysis. Conventional imaging is not sensitive or powerful enough to detect some of the grading factors. To deal with this issue, GRL has recently started investigating the use of hyperspectral imaging (HSI) for quantification of grain damage due to difficult-to-detect commonly encountered grading factors.

Quaternary transition pathway in sol–gel encapsulated haemoglobin tracked by NIR ...

Conformational changes involving the quaternary structure of proteins are of fundamental importance for several important biological mechanisms. The R→T structural transition of haemoglobin (Hb), the protein responsible for oxygen (O2) transport in the red blood cells of vertebrates, is the hallmark example. This transition, which regulates O2 uptake in the lungs and O2 release in the tissues, is a switch in the quaternary structure of the protein from a low-affinity state (T) to a high-affinity state (R), two well-characterised structures.

Applications of NIR spectroscopy as part of the PAT Toolbox in the pharmaceutical industry

Process analytical technology (PAT), though a viable field for several decades, is finally coming of age in the pharmaceutical industry. The US FDA's PAT initiative of 2004 has led to the rebirth of a field that has proven itself in other industries with the potential of gaining manufacturing efficiencies and better regulation for pharmaceutical manufacturing processes. As NIR instrumentation and software development continues to progress, the applications and implementations of NIR in these areas are bound to increase.

Meetings

Previews of the 14th International Diffuse Reflectance Conference (Chambersburg) and the First Asian NIR Symposium.

Interview: Pierre Dardenne

The first in our new Interview section interviews Pierre Dardenne. The idea behind these interviews is to give some insight into the person behind the scientist and demonstrate that our leading academic and commercial researchers are people first and scientists second.

News

Awards, people, applications and more news.

Editorial

Gerry Downey considers the IDRC conference in Chambersburg, and other material in this issue, including our new Interview section.