Comparative study of the alignment method on experimental and simulated chromatographic data.

One of the major problems in the signal comparison of chromatographic data is the variability of response caused by instrumental drifts and others instabilities. Measures of quality control and evaluation of conformity are inherently sensitive to shift. It is essential to be able to compare test samples to reference samples in an evolutionary analytical environment by offsetting the inevitable drift. Therefore, prior to any multivariate analysis, the alignment of analytical signals is a compulsory preprocessing step. During recent years, many researchers have taken a greater interest in the study of the alignment. The present paper is an updated review on the alignment algorithms, methods, and improvements used in chromatography. The study is dedicated to one-dimensional signals. Several of the exposed methods have common theoretical bases and can differ through their optimization methods. The main issue for the operator is to choose the appropriate method according to the type of signals to be processed.

CIEL*a*b* color space predictive models for colorimetry devices--analysis of perfume quality.

Color perception plays a major role in the consumer evaluation of perfume quality. Consumers need first to be entirely satisfied with the sensory properties of products, before other quality dimensions become relevant. The evaluation of complex mixtures color presents a challenge even for modern analytical techniques. A variety of instruments are available for color measurement. They can be classified as tristimulus colorimeters and spectrophotometers. Obsolescence of the electronics of old tristimulus colorimeter arises from the difficulty in finding repair parts and leads to its replacement by more modern instruments. High quality levels in color measurement, i.e., accuracy and reliability in color control are the major advantages of the new generation of color instrumentation, the integrating sphere spectrophotometer. Two models of spectrophotometer were tested in transmittance mode, employing the d/0° geometry. The CIEL(*)a(*)b(*) color space parameters were measured with each instrument for 380 samples of raw materials and bases used in the perfume compositions. The results were graphically compared between the colorimeter device and the spectrophotometer devices. All color space parameters obtained with the colorimeter were used as dependent variables to generate regression equations with values obtained from the spectrophotometers. The data was statistically analyzed to create predictive model between the reference and the target instruments through two methods. The first method uses linear regression analysis and the second method consists of partial least square regression (PLS) on each component.