Chemometric journals

Kjeldahl K., Bro R.. Some common misunderstandings in chemometrics Journal of Chemometrics. 2010 24 558-564. 

The notation chemometrics was introduced in 1972 by the Swede Svante Wold and the American Bruce R. Kowalski. The foundation of the International Chemometrics Society in 1974 led to the first description of this discipline. In the following years, several conference series were organized, for example. Computer Application in Analytics (COMPANA), Computer-Based Analytical Chemistry (COBAC), and Chemometrics in Analytical Chemistry (CAC). Some journals devoted special sections to papers on chemometrics. Later, novel chemometric journals were started, such as the Journal of Chemometrics (WUey) and Chemometrics and Intelligent Laboratory Systems (Elsevier). 

Ranalli, A., Pollastri, L., Contento, S., Di Loreto, G., lannucci, E., and Lucera, L. Acylglycerol and fatty acid components of pulp, seed, and whole olive fruit oils. Their use to characterize fruit variety by chemometrics. Journal of Agriculture and Food Chemistry, 50, 3775-3779. 2002. 

Morales, M. T., Alonso, M. V., Rios, J. J. and Aparicio, R. (1995) Virgin olive oil aroma -relationship between volatile compounds and sensory attributes by chemometrics. Journal of Agricultural and Food Chemistry, 43, 2925-31. 

H. Winning, F.H. Larsen, R. Bro, S.B. Engelsen, Quantitative analysis of NMR spectra with chemometrics. Journal of Magnetic Resorumce (2008), 190 (1), 26-32. 

Che Man, Y. B., Rohman, A. (2013). Analysis of Canola Oil in Virgin Coconut Oil Using FTIR Spectroscopy and Chemometrics, Journal of Food and Pharmaceutical Sciences 1, 5-9. 

We have been writing about statistics and chemometrics for a long time. Long-time readers of the column series published in Spectroscopy magazine will recall that the series name changed since its inception. The original name was Statistics in Spectroscopy (which was a multiple pun, since it referred to Statistics in Spectroscopy and Statistics in Spectroscopy as well as statistics (the subject of Statistics) in Spectroscopy (see our third column ever [1] for a discussion of the double meaning of the word Statistics . The same discussion is found in the book based on those first 38 columns in the earlier Statistics series [2])). 

Dixon, S.J., Brereton, R.G, Soini, H.A., Novotny, M.V. and Penn, D.J. (2007) An automated method for peak detection and matching in large gas chromatography-mass spectrometry data sets. Journal of Chemometrics In press. 

Hayek, E.W.H., Krenmayr, P. Lohninger, H., Jordis, U., Sauter, F. and Moche, W. (1991). GC/MS and chemometrics in archaeometry investigation of glue on copper age arrowheads. Fresenius Journal of Analytical Chemistry 340 153-156. 

Cocchi, M., Menziani, M.C., Fanelli, F. and De Benedetti, P.G. (1995) Theoretical quantitative structure-activity relationship analysis of congeneric and non congeneric al-adrenoceptor antagonists a chemometric study. Journal of Molecular Structure (Theochem), 331, 79-93. 

In 1986 two journals devoted to chemometrics have been launched Journal of Chemometrics by Wiley, and the Journal of Chemometrics and Intelligent Laboratory Systems (short ChemoLab) by Elsevier both are still the leading print media in this field. 

Harper, A.M. Liebman, S.A. Chemometrics Research Conference, Gaithersburg, MD, May 1985, to be published in NBS Research Journal. 

J. Wieling, H. Dijkstra, C.K. Mensink, J.H.G. Jonkman, P.M.J. Coenegracht, C.A.A. Duineveld and D.A. Doombos, Chemometrics in Bioanalytical Sample Preparation a Fractionated Combined Mixture and Factorial Design for the Modelling of the Recovery of Five Tricyclic Amines from Plasma after Liquid-Liquid Extraction, Journal of Chromatography, 629(2) (1993) 181-199. 

Until now Chemometrics has been considered to be the interface between applied mathematics and analytical chemistry. I believe that by now Chemometrics is also becoming the interface between the analytical chemist and analytical chemistry. This symbiosis of artificial and natural intelligence in analytical chemistry probably can provide an optimal solution In this r pect, I like to quote what Meglen secretary of the Chemometric Society, wrote on the occasion of the tenth anniversary of the Society Chemometrics is clearly beyond infancy. Indeed at ten years old it is remarkably mature . A sign of its maturity the fact that two publishers decided to publish a journal devoted to chemometrics. 

Cotroneo A, Dugo G, Favretto L, Favaretto LG (1990) Journal of Chemometrics 4 379... 

The aim of applying mathematical and statistical methods is first of all to detect and secondly to describe the interrelations between influencing forces on the one hand, and the interrelations between these influences and the resulting effects on the other hand. Subsequently, new scientific subdisciplines such as biometrics, psychometrics, medical statistics, econometrics, etc. have been developed. These developments have been reflected by the publication of corresponding journals, for example Biometrika (1901), Psycho-metrika (1936), Technometrics (1959) [GELADI, 1995]. Chemometrics was, therefore, not the first discipline of its kind. 

In the past decade, the development of chemometrics has found its expression in the publication of two journals specializing in chemometrics Chemometrics and Intelligent Laboratory Systems (1986) and Journal of Chemometrics (1987) the increasing importance of chemometric methods in the field of environmental research is apparent from the publication of the journal Environmetrics (1990). As a consequence of the rapidly increasing number of papers dealing with chemometrics, a reference journal Windows on Chemometrics has been published since 1993. 

Section 1.8 gives an overview of monographs which deal with basic and advanced statistics, and some hints are given about recommended books and journals. Important books on general aspects of chemometrics include SHARAF et al. [1986], MASSART et al. [1988], and BRERETON [1990]. Books which deal with the application of chemometric methods in environmental research are BREEN and ROBINSON [1985], DEVILLERS and KARCHER [1991], and EINAX [1995a 1995b],... 

Scientific articles on applied chemometrics can also be found in the periodicals Journal of Chemometrics and Intelligent Laboratory Systems and Journal of Chemometrics , and with emphasis on the environment Environmetrics . Many analytical journals also publish papers on chemometrics these include Analytical Chemistry , Analytica Chimica Acta , Analytical Proceedings , Analyst , Fresenius Journal of Analytical Chemistry , Journal of Environmental Analytical Chemistry , etc. 

A brief overview of new literature in the field of chemometrics is available in the journals Windows on Chemometrics and Analytical Abstracts . 

The many examples, the eye-pleasing presentation and the references to other texts and articles make the book useful as a teaching tool. Beginners and those more familiar with the field will find the book a great benefit because of that breadth, and especially because of the clarity and relative uniformity of presentation. (Journal of Chemometrics)... 

Journal of Chemometrics (Wiley) — Good for fundamental papers and applications of advanced algorithms. 

Papers on chemometrics can also be found in many of the more general analytical journals, Including Analytica Chimica Acta, Analytical Chemistry, Applied Spectroscopy, Journal of Near Infrared Spectroscopy, Journal of Process Control, and Technometrics. 

Hernandez-Orte, R, Cacho, J. R, Ferreira, V. (2002) Relationship between varietal amino acid profile of grapes and wine aromatic composition. Experiments with model solutions and chemometric study. Journal of Agricultural and Food Chemistry, 50, 2891-2899. 

An extensive product review of recent NIR technology was published by Noble. Enormous progress has been achieved in chemometrics and computing power, making many new applications possible. There are dozens of manufacturers of NIR spectrophotometers in the United States. There are many vendors of sampling components and software packages for data analysis. Research data of the most recent instrumentation and software are available directly on the World Wide Web, as most manufacturers maintain a Web site. There are numerous Internet sites that provide links to professional spectroscopy societies, publishers of spectroscopy journals, and patents related to pharmaceutical uses of NIR. 

Katkevica, D., Trapencieris, P., Boman, A., Kalvins, I., Lundstedt, T. The Nenitzescu reaction An initial screening of experimental conditions for improvment of the yield of a model reaction. Journal of Chemometrics 2004,18, 183-187. 

---