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The glossary contains definitions of more than 500 terms frequently used in relation to the chemistry, mode of action, regulation, and use of pesticides. A wide range of disciplines is involved in this field, and the glossary was developed as a step in facilitating communication among researchers, government regulatory authorities, and chemists in associated professional areas. The range of terms relates to pesticide residue analysis, sampling for analysis, good laboratory practice, metabolism, environmental fate, effects on ecosystems, computer simulation models, toxicology, and risk assessment. The number of important, “pesticide-related” terms has more than doubled since 1996, when the first IUPAC glossary of this type was developed [1], an indication of how this field has become so integrated with many other scientific and regulatory disciplines.
Pure Appl. Chem., Vol. 78, No. 11, pp. 2075–2154, 2006.
IUPAC Recommendations 2006
© 2006 IUPAC
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This paper gives an introduction to multivariate calibration from a chemometrics perspective and reviews the various proposals to generalize the well-established univariate methodology to the multivariate domain. Univariate calibration leads to relatively simple models with a sound statistical underpinning.
The associated uncertainty estimation and figures of merit are thoroughly covered in several official documents. However, univariate model predictions for unknown samples are only reliable if the signal is sufficiently selective for the analyte of interest. By contrast, multivariate calibration methods may produce valid predictions also from highly unselective data. A case in point is quantification from near-infrared (NIR) spectra. With the ever-increasing sophistication of analytical instruments inevitably comes a suite of multivariate calibration methods, each with its own underlying assumptions and statistical properties. As a result, uncertainty estimation and figures of merit for multivariate calibration methods has become a subject of active research, especially in the field of chemometrics.
Pure Appl. Chem., Vol. 78, No. 3, pp. 633–661, 2006.
IUPAC Technical Report
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Differential scanning calorimeters (DSCs) are widely used for temperature, heat capacity, and enthalpy measurements in the range from subambient to high temperatures. The present recommendations describe procedures and reference materials (RMs) for the calibration of DSCs. The recommendations focus on the calibration of the response of the instrument and on the estimation of the measurement uncertainty. The procedures for temperature, enthalpy, and heat-flow rate calibration are given in detail. Calibration on cooling has also been considered. Recommended RMs are listed, and the relevant properties of these materials are discussed.
Pure Appl. Chem., Vol. 78, No. 7, pp. 1455–1476, 2006.
IUPAC Technical Report
© 2006 IUPAC
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The latest evaluation of atomic weight determinations and other cognate data has warranted 16 changes for the standard atomic weights of the elements, Ar(E), from those published previously in the 2001 Table of Atomic Weights. The revised standard atomic weights are as follows: Ar(Al) = 26.981 5386(8), Ar(Bi) = 208.980 40(1), Ar(Cs) = 132.905 4519(2), Ar(Co) = 58.933 195(5), Ar(Au) = 196.966 569(4), Ar(La) = 138.905 47(7), Ar(Mn) = 54.938 045(5), Ar(Nd) = 144.242(3), Ar(P) = 30.973 762(2), Ar(Pt) = 195.084(9), Ar(Sm) = 150.36(2), Ar(Sc) = 44.955 912(6), Ar(Na) = 22.989 769 28(2), Ar(Ta) = 180.947 88(2), Ar(Tb) = 158.925 35(2), Ar(Th) = 232.038 06(2). A recommendation is made that δ13C values of all carbon-bearing materials be measured and expressed relative to Vienna Pee Dee Belemnite (VPDB) on a scale normalized by assigning consensus values of –46.6 ‰ to L-SVEC lithium carbonate and +1.95 ‰ to NBS 19 calcium carbonate.
Pure Appl. Chem., Vol. 78, No. 11, pp. 2051–2066, 2006.
IUPAC Technical Report
© 2006 IUPAC
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The 2002 IUPAC evaluation of scientific and technological advances relevant to the operation of the Chemical Weapons Convention (CWC) included a recommendation that greater efforts are required in education and outreach to the worldwide scientific and technical community to increase awareness of the CWC and its benefits. In 2004, the President of IUPAC and the Director-General of the Organisation for the Prohibition of Chemical Weapons (OPCW) agreed on a proposal for a joint project on chemistry education, outreach, and the professional conduct of chemists.
This led to a joint IUPAC/OPCW international workshop held in Oxford, UK on 9–12 July 2005 with 27 participants from 18 different countries. This report sets out the background to the workshop, the scope of the presentations and discussions, the outcomes of the workshop, and the recommended steps to further chemical education, outreach, and codes of conduct in regard to the obligations of the CWC.
Pure & Appl. Chem., Vol. 78, No. 11, p. 2169–2192, 2006
IUPAC Technical Report
© 2006 IUPAC
IUPAC permission is acknowledged
