produce the International Harmonized Protocol
for the Proficiency Testing of (Chemical) Analytical Laboratories. The Working
Group that produced the protocol agreed to revise that Protocol in the light of re-
cent developments and the experience gained since it was first published. This re-
vision has been prepared and agreed upon in the light of comments received fol-
lowing open consultation.
Keywords: harmonized; IUPACAnalyticalChemistryDivision; uncertainty;
analysis; proficiency testing; protocol.
PART 1: FOREWORD AND INTRODUCTION 148
1.0 Foreword 148
(ANNs), principal component analysis (PCA), etc.]. Definitions
of the multisensor systems and their parameters are suggested. Results from the
application of the electronic tongue, both for quantitative and qualitative analysis
of different mineral water and wine samples, are presented and discussed.
Keywords: Sensors; chemical sensors; electronic tongue; potentiometric sensors;
technical report; IUPACAnalyticalChemistryDivision.
Selectivity of potentiometric sensors, such as ion-selective electrodes (ISEs), is defined by the selectiv-
; use of extrapolation procedures.
Keywords: NMR titration; dissociation constants; acidity constants; chemical shift
dependence on medium; high and low pK measurement; IUPACAnalyticalChemistryDivision.
Numerical data for acid–base equilibria (lg Ka values) have contributed significantly to the theoretical
foundation of modern organic and inorganic chemistry [1,2]. In particular, the ligand acid dissociation
constants (pKa) correlate strongly with complex stability for many classes of ligands . The related
linear Gibbs energy relationships may be
); O. M. Demchuk (Poland); M. Ludwig (Czech Republic); V. Milata (Slovakia); M. Olire Edema (Nigeria); P. M. Pihko (Finland); N. Sultana (Bangladesh); H. Vančik (Croatia); B.-J. Uang (China/Taipei); T. Vilaivan (Thailand). Membership of the IUPACAnalyticalChemistryDivision Committee for the period 2014–2015 is as follows: President : D. Hibbert (Australia); Vice President : J. Labuda (Slovakia); Secretary : Z. Mester (Canada); Past President : M. F. Camões (Portugal); Titular Members : C. Balarew (Bulgaria); Y. Chen (China/Beijing); A. Felinger (Hungary
); A. P. Rauter (Portugal); Z. Xi (China/Beijing); National Representatives : Y.-M. Choo (Malaysia); O. M. Demchuk (Poland); M. Ludwig (Czech Republic); V. Milata (Slovakia); M. Olire Edema (Nigeria); P. M. Pihko (Finland); N. Sultana (Bangladesh); H. Vančik (Croatia); B.-J. Uang (China/Taipei); T. Vilaivan (Thailand). Membership of the IUPACAnalyticalChemistryDivision Committee for the period 2014–2015 is as follows: President : D. Hibbert (Australia); Vice President : J. Labuda (Slovakia); Secretary : Z. Mester (Canada); Past President : M. F. Camões
Solid state electroanalytical chemistry (SSEAC) deals with studies of the
processes, materials, and methods specifically aimed to obtain analytical
information (quantitative elemental composition, phase composition, structure
information, and reactivity) on solid materials by means of electrochemical
methods. The electrochemical characterization of solids is not only crucial for
electrochemical applications of materials (e.g., in batteries, fuel cells,
corrosion protection, electrochemical machining, etc.) but it lends itself also
for providing analytical information on the structure and chemical and
mineralogical composition of solid materials of all kinds such as metals and
alloys, various films, conducting polymers, and materials used in
nanotechnology. The present report concerns the relationships between molecular
electrochemistry (i.e., solution electrochemistry) and solid state
electrochemistry as applied to analysis. Special attention is focused on a
critical evaluation of the different types of analytical information that are
accessible by SSEAC.
This document contains recommendations for terminology in mass spectrometry.
Development of standard terms dates back to 1974 when the IUPAC Commission on
Analytical Nomenclature issued recommendations on mass spectrometry terms and
definitions. In 1978, the IUPAC Commission on Molecular Structure and
Spectroscopy updated and extended the recommendations and made further
recommendations regarding symbols, acronyms, and abbreviations. The IUPAC
Physical Chemistry Division Commission on Molecular Structure and Spectroscopy’s
Subcommittee on Mass Spectroscopy revised the recommended terms in 1991 and
appended terms relating to vacuum technology. Some additional terms related to
tandem mass spectrometry were added in 1993 and accelerator mass spectrometry in
1994. Owing to the rapid expansion of the field in the intervening years,
particularly in mass spectrometry of biomolecules, a further revision of the
recommendations has become necessary. This document contains a comprehensive
revision of mass spectrometry terminology that represents the current consensus
of the mass spectrometry community.
Definitions for the terms "metallome" and "metallomics" are proposed. The state of the art of analytical techniques and methods for systematic studies of metal content, speciation, localization, and use in biological systems is briefly summarized and critically evaluated.
Complex formation between CuII and the common environmental ligands Cl-, OH-, CO32-, SO42-, and PO43- can have a significant effect on CuII speciation in natural waters with low concentrations of organic matter. Copper(II) complexes are labile, so the CuII distribution amongst these inorganic ligands can be estimated by numerical modeling if reliable values for the relevant stability (formation) constants are available. This paper provides a critical review of such constants and related thermodynamic data. It recommends values of log10βp,q,r° valid at Im = 0 mol kg-1 and 25 °C (298.15 K), along with the equations and specific ion interaction coefficients required to calculate log10βp,q,r values at higher ionic strengths. Some values for reaction enthalpies, ΔrHm, are also reported where available. In weakly acidic fresh water systems, in the absence of organic ligands, CuII speciation is dominated by the species Cu2+(aq), with CuSO4(aq) as a minor species. In seawater, it is dominated by CuCO3(aq), with Cu(OH)+, Cu2+(aq), CuCl+, Cu(CO3)OH-, Cu(OH)2(aq), and Cu(CO3)22- as minor species. In weakly acidic saline systems, it is dominated by Cu2+(aq) and CuCl+, with CuSO4(aq) and CuCl2(aq) as minor species.