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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; IUPAC Analytical Chemistry Division; uncertainty; analysis; proficiency testing; protocol. CONTENTS PART 1: FOREWORD AND INTRODUCTION 148 1.0 Foreword 148 1

(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; IUPAC Analytical Chemistry Division. 1. INTRODUCTION Selectivity of potentiometric sensors, such as ion-selective electrodes (ISEs), is defined by the selectiv- ity

; use of extrapolation procedures. Keywords: NMR titration; dissociation constants; acidity constants; chemical shift dependence on medium; high and low pK measurement; IUPAC Analytical Chemistry Division. INTRODUCTION 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 [3]. The related linear Gibbs energy relationships may be

; standard error of prediction; prediction inter- val; figures of merit; limit of detection; results reporting; chemometrics; IUPAC Analytical Chemistry Division. CONTENTS 1. INTRODUCTION 2. MULTIVARIATE CALIBRATION FROM A CHEMOMETRICS PERSPECTIVE 2.1 Why multivariate calibration? 2.2 Classical vs. inverse model 2.3 Framework for calibration 2.3.1 Zeroth-order (univariate) calibration 2.3.2 First-order (multivariate) calibration 2.3.3 Second-order (multivariate) calibration and beyond 3. UNCERTAINTY ESTIMATION AND FIGURES OF MERIT 3.1 Accepted methodology in univariate

); 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 IUPAC Analytical Chemistry Division 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 IUPAC Analytical Chemistry Division 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-, CO3 2-, SO4 2-, and PO4 3- 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 I m = 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)2 2- 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.