.... http://www.spectroscopyNOW.com/coi/cda/landing.cda?type=Feature&chId=9 http://www.spectroscopyNOW.com/coi/cma/download.cma?imageType=RssLogo&contentType=Feature&siteId=1&chId=9 http://www.spectroscopynow.com/ http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=23091&type=Feature&page=1 In this study five Sri Lanka black teas were analyzed by electronic nose, electronic tongue and sensory panel. Data were analyzed with principle component analysis (PCA), linear discriminant analysis (LDA) and in case of sensory analysis with one-way ANOVA. The partial least square regression (PLS) was used to estimate the sensory attributes. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=23052&type=Feature&page=1 Chemometrics and mass spectrometry can be used to classify wine according to geographic region. Proof of principle was undertaken with the new electronic nose carried out successfully with Tempranillo wines from Spain and Australia. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22943&type=Feature&page=1 The authors introduce two concepts to develop a method, where a proper change of rows and columns of a data matrix yields patterns of significant new information. By using their diagonal matrix measure and local distance matrix the similar objects were arranged close to each other in the data matrix and simultaneously the variables responsible for their similarity were collected close to the diagonal part defined by these objects. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22868&type=Feature&page=1 The rules that dictate the three-dimensional shapes of RNA molecules are primarily based not on complex chemical interactions but simply on geometry, according to a new biophysical study. The findings circumvents the fact that NMR spectroscopy and X-ray crystallography are not always effective tools in the analysis of complex biomolecules with potentially myriad conformations. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22762&type=Feature&page=1 This paper introduces a top-down hierarchical clustering approach called PLS-Tree. The PLS-Tree uses the scores of PLS regression models as the basis for splitting clusters. The approach is illustrated using two QSAR examples and one dataset based on hyperspectral images of liver tissue. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22733&type=Feature&page=1 A statistical analysis of experimental data on laboratory animals shows that the resin of the middle-eastern tree Commiphora, better known as "myrrh" can act as a protective antioxidant against liver damage caused by organic lead compounds. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22613&type=Feature&page=1 This paper presents a method of searching, identifying and crossreferencing metal alloys based on their chemical composition and/or mechanical properties, typically obtained by analysis and tests. The method uses a pattern similar to the approach of a human expert, a classification of metals based on metallurgical expertise and fuzzy logic for identifying metals and comparing their chemical and mechanical properties. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22563&type=Feature&page=1 Material degradomics borrows the informatics ethic from molecular biology and biochemistry and applies it to historical artefacts, in particular old books. Degradomics could allow conservationists to profile the complete gamut of volatile organic compounds released by artefacts and so tailor their efforts to improving stability or halting damage. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22432&type=Feature&page=1 The objective of this paper was to apply two-dimensional (2D) near-infrared (NIR) correlation spectroscopy to the discrimination of three species of Dendrobium. The 2D synchronous and asynchronous spectra showed remarkable differences within the range of 5600-4750 cm<font size=1><sup>-1</sup></font> between different species of Dendrobium. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22378&type=Feature&page=1 Experimental and epidemiological evidence previously suggested that circulating glucose and insulin may play a role in the emergence of breast cancer. Now a statistical analysis of baseline plasma levels of these compounds shows that elevated serum levels may indeed be a risk factor in postmenopausal women. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22280&type=Feature&page=1 Taken from the recent Multivariate Analysis special issue of the journal, <I>Surface and Interface Analysis</I>, published in August 2009. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22210&type=Feature&page=1 Researchers in Israel have used cheminformatics methods to "train" an array of gold-nanoparticle sensors to rapidly distinguish between the out breath of lung cancer patients and that of healthy individuals. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22102&type=Feature&page=1 Smoking marijuana is no less harmful than smoking tobacco, according to a Canadian study of the toxic effects on cells. The conclusion was drawn from an examination of the cytotoxicity, mutagenicity and clastogenicity of mainstream and sidestream marijuana smoke as compared to tobacco smoke. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=22112&type=Feature&page=1 Taken from the Special Issue of the <I>Journal of Chemometrics</I> which is dedicated to Professor Richard A. Harshman who died early last year. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=21991&type=Feature&page=1 Generalized 2D-NIR correlation spectroscopy was able to enhance spectral resolution, simplify the spectrum with overlapped bands and provide information about temperature-induced spectral intensity variations that was hard to obtain from one-dimensional NIR spectroscopy. The FT-NIR spectra were measured over a temperature range of 30-140°C. The 2D synchronous and asynchronous spectra showed remarkable differences within the range of 5600-4750 cm-1 between different species of Dendrobium. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=21947&type=Feature&page=1 Multivariate analysis of the physico-chemical, chemical and biological parameters of winery and distillery composts could point the way to improving the use of these generally intractable waste materials. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=21824&type=Feature&page=1 The purpose of this study was the evaluation of the most important factors that affect the volumetric and conventional mechanical properties of asphalt. To select the most important factors, several multiple linear regression (MLR) models, partial least squares (PLS) regression models and counterpropagation neural network models were made. Among 21 variables there is only one found as less important. The best models will be employed for the preparation of the asphalt mix design with some unknown material. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=21765&type=Feature&page=1 A correlation between the different factors affecting the toxicity of wastes hazardous to the aquatic environment can be derived from a novel battery of bioassays using multivariate analysis, primarily Principal Component Analysis, according to a new study. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=21652&type=Feature&page=1 In this work a theoretical formulation of difference spectra for kinetic-spectrophotometric two-way data of parallel complexation reactions is presented. http://www.spectroscopyNOW.com/coi/cda/detail.cda?chId=9&id=21567&type=Feature&page=1 Clinical research studies into drug efficacy and side effects have often been laborious and time consuming, new software that analyses "anonymised" patient electronic medical records could reduce investigation times from months to minutes.