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JAASJournal of Analytical Atomic Spectrometry

rsc.li/jaasThe Royal Society of Chemistry is the world's leading chemistry community. Through our high impact journals and publications weconnect the world with the chemical sciences and invest the profits back into the chemistry community.

IN THIS ISSUE

ISSN 0267-9477 CODEN JASPE2 32(2) 203–422 (2017)

View Article OnlineView Journal | View Issue

CoverSee Annemie Bogaerts andMaryam Aghaei, pp. 233–261.Image reproduced bypermission ofAnnemie Bogaerts fromJ. Anal. At. Spectrom.,2017, 32, 233.

This journal is © The Royal Society of C

hemistry 2017

Inside coverSee David M. Chew et al.,pp. 262–276.Image reproduced bypermission of David M. Chewfrom J. Anal. At. Spectrom.,2017, 32, 262.

J. Anal. At.

CRITICAL REVIEW

212

Improvements in the direct analysis of advancedmaterials using ICP-based measurement techniques

Andreas Limbeck,* Maximilian Bontaand Winfried Nischkauer

The analysis of advanced materials using ICP-basedsolid sampling approaches offers many advantages andpossibilities. Recent developments are discussed in thisreview.

TUTORIAL REVIEW

233

Inductively coupled plasma-mass spectrometry:insights through computer modeling

Annemie Bogaerts and Maryam Aghaei

We illustrate howmodeling can give better insight in ICP-MS,by showing calculated plasma characteristics, gas flowpatterns and sample behavior.

Spectrom., 2017, 32, 205–211 | 205

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Editorial StaffExecutive Editor Philippa Hughes

Deputy EditorRebecca Brodie

Editorial Production ManagerSarah Kenwright

Development EditorSarah Rogers

Publishing EditorsSusan Askey, Harriet Brewerton, Sarah Farley, Ziva Whitelock

Publishing AssistantsAndrea Whiteside

Editorial AssistantKeir Hollingsworth

PublisherJamie Humphrey

For queries about submitted articles please contact Sarah Kenwright, Editorial production manager, in the first instance. E-mail jaas@rsc.org

For pre-submission queries please contact Philippa Hughes, Executive editor. E-mail jaas-rsc@rsc.org

Journal of Analytical Atomic Spectrometry (JAAS) (print: ISSN 0267-9477; electronic: ISSN 1364-5544) is published 12 times a year by the Royal Society of Chemistry, Thomas Graham House, Science Park, Milton Road, Cambridge, UK CB4 0WF.

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JAASJournal of Analytical Atomic Spectrometryrsc.li/jaasInnovative research on the fundamental theory and application of spectometric techniques.

Editorial Board

Chair Martín Resano, University of Zaragoza,

Spain

MembersDmitry R. Bandura, Fluidigm Canada,

CanadaOwen Butler, Health and Safety

Laboratory, UKCarsten Engelhard, University of Siegen,

Germany

Joerg Feldmann, University of Aberdeen, UK

Érico Marlon Moraes Flores, Universidade Federal de Santa Maria, Brazil

Heidi Goenaga-Infante, LGC, Middlesex, UK

Wei Hang, Xiamen University, ChinaGeorge Havrilla, Los Alamos National

Laboratory, USA

Takafumi Hirata, University of Tokyo, Japan

Jorge Pisonero, University of Oviedo, Spain

Steven Ray, State University of New York at Buffalo, USA

Lu Yang, National Research Council Canada, Canada

Advisory Board

Marco Arruda, UNICAMP, BrazilRamon M. Barnes, University Research

Institute for Analytical Chemistry, USAAnnemie Bogaerts, University of Antwerp,

BelgiumJosé Broekaert, University of Hamburg,

GermanyDetlef Günther, ETH Zürich, SwitzerlandGeorge Havrilla, Los Alamost National

Laboritory, USAGary M. Hieftje, Indiana University, USAXiandeng Hou, Sichun University, ChinaBin Hu, Wuhan University, ChinaZhaochu Hu, China University of

Geosciences, ChinaNorbert Jakubowski, Federal Institute for

Materials Research and Testing (BAM), Germany

Gunda Köllensperger, University of Vienna, Austria

David W. Koppenaal, Pacific Northwest National Laboratory, USA

Kerstin Leopold, University of Ulm, Germany

Kelvin Leung, Hong Kong Baptist University, Hong Kong, China

Heung Bin Lim, Dankook University, South Korea

Yi Lv, Sichuan University, ChinaR. Kenneth Marcus, Clemson University,

USAJohn W Olesik, Ohio State University, USARichard Ortega, CNRS, FranceChristophe Pécheyran, University of Pau

and Pays de l’Adour, FranceSpiros Pergantis, University of Crete,

Greece

Pawel Pohl, Wroclaw University of Technology, Poland

Mark Rehkamper, Imperial College LondonRick Russo, Lawrence Berkeley National

Laboritory, USAAtitaya Siripinyanond, Mahidol University,

ThailandPatricia Smichowski, National Atomic

Energy Commission, ArgentinaRalph E. Sturgeon, National Research

Council of Canada, CanadaJoanna Szpunar, University of Pau, FranceScott Tanner, University of Toronto,

CanadaJosé Luís Todoli, University of Alicante,

SpainJohannes van Elteren, National Institute of

Chemistry, SloveniaFrank Vanhaecke, University of Ghent,

Belgium

Atomic Spectrometry Updates Editorial Board

Chair *O. T. Butler, Health & Safety Laboratory,

UK J. R. Bacon, Aberdeen, UKN. Barlow, Sandwell General Hospital, UKS. Branch, Sonning Common, UKW. R. L. Cairns, Institute for the Dynamics

of Environmental Processes, ItalyS. Carter, BP Chemicals Limited, UK*R. Clough, University of Plymouth, UK*J. M. Cook, British Geological Survey, UKC. M. Davidson, University of Strathclyde,

UKM. P. Day, The Australian Wine Research

Institute, AustraliaL. Ebdon, Hitchin, UKA. T. Ellis, Abingdon, UK*E. H. Evans, University of Plymouth, UK

A. Fisher, University of Plymouth, UKB. Gibson, Intertek Testing Services, UKD. J. Halls, DJH Web, UKC. Harrington, University of Surrey, UKS. Hill, LGC, UK*S. J. Hill, University of Plymouth, UKY. Madrid, Universidad Complutense de

Madrid, Spain*J. Marshall, Glasgow Caledonian

University, UK*D. L. Miles, Keyworth, UKJ. Murphy, National Nuclear Laboratory

Limited, UKM. Patriarca, Istituto Superiore di Sanita,

ItalyJ. Pisonero, University of Oviedo, SpainP. J. Potts, Open University, UK

C. M. M. Smith, St Ambrose High School, UK

C. Streli, Atominstitut TU Vienna, Austria*A. T. Taylor, University of Surrey, UKR. Taylor, University of Southampton, UKJ. F. Tyson, University of Massachusetts,

USAC. Vanhoof, Flemish Institute for

Technological Research (VITO), Belgium*H. M. West, Sheffield, UKM. White, Health and Safety Laboratory, UKI. Whiteside, MPI, Middlesbrough, UKP. Wobrauschek, Atominstitut TU Vienna,

Austria

*Members of the ASU Executive Committee

Information for Authors

Full details on how to submit material for publication in JAAS are given in the Instructions for Authors (available from http://www.rsc.org/authors). Submissions should be made via the journal’s homepage: rsc.li/jaas

Authors may reproduce/republish portions of their published contribution without seeking permission from the Royal Society of Chemistry, provided that any such republication is accompanied by an acknowledgement in the form: (Original Citation)–Reproduced by permission of the Royal Society of Chemistry.

This journal is © The Royal Society of Chemistry 2017. Apart from fair dealing for the purposes of research or private study for non-commercial purposes, or criticism or review, as

permitted under the Copyright, Designs and Patents Act 1988 and the Copyright and Related Rights Regulation 2003, this publication may only be reproduced, stored or transmitted, in any form or by any means, with the prior permission in writing of the Publishers or in the case of reprographic reproduction in accordance with the terms of licences issued by the Copyright Licensing Agency in the UK. US copyright law is applicable to users in the USA.

∞ The paper used in this publication meets the requirements of ANSI/NISO Z39.48–1992 (Permanence of Paper).

Registered charity number: 207890

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PAPERS

262

Rapid high-resolution U–Pb LA-Q-ICPMS agemapping of zircon

David M. Chew,* Joseph A. Petrus, Gavin G. Kennyand Niall McEvoy

206Pb–238U LA-ICPMS image map of a complex, polyphasezircon produced using 7 micron rasters.

This journal is © The Royal Society of Chemistry 2017

277

Impact of Laser-Induced Breakdown Spectroscopydata normalization on multivariate classificationaccuracy

P. Porızka,* J. Klus, A. Hrdlicka, J. Vrabel, P. Skarkova,D. Prochazka, J. Novotny, K. Novotny and J. Kaiser

Normalization of data is significant and should be chosenaccording to the sample matrix under investigation.

289

Imaging the 3D trace metal and metalloiddistribution in mature wheat and rye grains via laserablation-ICP-mass spectrometry and micro-X-rayfluorescence spectrometry

Stijn J. M. Van Malderen, Brecht Laforce,Thibaut Van Acker, Laszlo Vincze and Frank Vanhaecke*

In this work, a serial sectioning approach, based on polishingan epoxy-embedded sample, is used to image trace metals incereal grains in 3D.

299

Microanalysis of arsenic in solid samples by laserablation-atomic fluorescence spectrometry

Zdenka Slejkovec,* Johannes T. van Elteren, Vid S. Selih,Martin Sala and Warren T. Corns

A spot mode-LA-AFS method has been developed forlocalised microanalysis of arsenic in biological tissues.

J. Anal. At. Spectrom., 2017, 32, 205–211 | 207

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PAPERS

305

208 | J. Anal. At. Spectrom., 2017, 32, 205–211

In situ Rb–Sr and K–Ca dating by LA-ICP-MS/MS:an evaluation of N2O and SF6 as reaction gases

K. Johan Hogmalm,* Thomas Zack,Andreas K.-O. Karlsson, Axel S. L. Sjoqvistand Dieter Garbe-Schonberg

Significant improvements to the analytics and calibration ofin situ Rb–Sr dating; extending the concept to in situ K–Cadating.

314

Iron isotopic analysis of finger-prick and venousblood by multi-collector inductively coupledplasma-mass spectrometry after volumetricabsorptive microsampling

Yulia Anoshkina, Marta Costas-Rodrıguezand Frank Vanhaecke*

The use of VAMS – volumetric absorptive microsampling – offinger-prick blood was evaluated in the context of high-precision isotopic analysis of whole blood Fe by multi-collector inductively coupled plasma-mass spectrometry.

322

Development and validation of a new method forthe precise and accurate determination of traceelements in silicon by ICP-OES in high siliconmatrices

A. Rietig and J. Acker

A ready-to-use method for the precise and fastdetermination of impurities in silicon is presented.

334

FPM model calculation for micro X-ray fluorescenceconfocal imaging using synchrotron radiation

I. Szaloki,* A. Gerenyi, G. Radocz, A. Lovas, B. De Samberand L. Vincze

A novel quantitative reconstruction model for synchrotron-based confocal X-ray fluorescence imaging has beendeveloped and validated.

This journal is © The Royal Society of Chemistry 2017

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PAPERS

345

Influence of the target material on secondary plasmaformation underwater and its laser inducedbreakdown spectroscopy (LIBS) signal

M. R. Gavrilovic, V. Lazic and S. Jovicevic*

The significant influence of the target material properties onsubsequent plasma and bubble formation in underwater laserablation is demonstrated through the examples of a-aluminaand pure Al targets.

This journal is © The Royal Society of Chemistry 2017

354

Combined hollow cathode vs. Grimm cell:semiconductive and nonconductive samples

A. Gubal,* A. Ganeev, V. Hoffmann, M. Voronov,V. Brackmann and S. Oswald

The Grimm and the combined hollow cathode GD cellswere compared in the scope of semiconductive andnonconductive sample analysis.

367

Optimization of distances between the target surfaceand focal point on spatially confined laser-inducedbreakdown spectroscopy with a cylindrical cavity

Jin Guo, Junfeng Shao, Tingfeng Wang, Changbin Zheng,Anmin Chen* and Mingxing Jin*

The spatial confinement effect in laser-induced plasma withdifferent distances between the target surface and focal pointis investigated by optical emission spectroscopy.

373

Determination of total Hg isotopic composition atultra-trace levels by on line cold vapor generationand dual gold-amalgamation coupled to MC-ICP-MS

S. Berail,* J. Cavalheiro, E. Tessier, J. P. G. Barre,Z. Pedrero, O. F. X. Donard and D. Amouroux

An online pre-concentration method was developed todirectly determine Hg isotopic compositions at the ng L�1

level in liquid samples.

J. Anal. At. Spectrom., 2017, 32, 205–211 | 209

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PAPERS

385

210 | J. Anal. At. Spectrom., 2017, 32, 205–211

Structure of the Fe and Ni L X-ray spectra

A. Sepulveda, T. Rodrıguez, P. D. Perez, A. P. L. Bertol,A. C. Carreras, J. Trincavelli, M. A. Z. Vasconcellos,R. Hinrichs and G. Castellano*

Diagram and satellite line parameters were obtained fromFe-L and Ni-L X-ray spectra induced by electron impact.

393

Measurement of uranium-236 in particlesby secondary ion mass spectrometry

David S. Simons* and John D. Fassett

The determination of the relative isotopic abundanceby secondary ion mass spectrometry of 236U inuranium-containing material is complicated bythe presence of 235U1H+ ions at the same nominalmass as the uranium isotopic peak.

402

3D-reconstruction of chemical state distributions instratified samples by spatially resolved micro-X-rayresonant Raman spectroscopy

J. J. Leani,* R. D. Perez, J. I. Robledo and H. J. Sanchez

X-ray resonant Raman scattering was used, for the first time,in a confocal setup with the aim of determining differentcompounds of the same element in a copper-multilayersample.

408

A new approach for the digestion of diesel oil bymicrowave-induced combustion and determinationof inorganic impurities by ICP-MS

Flavia M. Dalla Nora, Sandra M. Cruz,Cristiano K. Giesbrecht, Gunter Knapp, Helmar Wiltsche,Cezar A. Bizzi, Juliano S. Barin and Erico M. M. Flores*

The presence of trace elements in fuels with high vaporpressure, such as diesel oil, can cause several problems, suchas the poisoning of automotive catalysts and environmentalpollution; thus strict quality control is required.

This journal is © The Royal Society of Chemistry 2017

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TECHNICAL NOTE

415

Inter-calibration of a proposed new primaryreference standard AA-ETH Zn for zinc isotopicanalysis

Corey Archer,* Morten B. Andersen, Christophe Cloquet,Tim M. Conway, Shuofei Dong, Michael Ellwood,Rebekah Moore, Joey Nelson, Mark Rehkamper,Olivier Rouxel, Moneesha Samanta, Ki-Cheol Shin,Yoshiki Sohrin, Shotaro Takano and Laura Wasylenki

We have prepared and calibrated a large volume of pure,concentrated and homogenous zinc standard solution.

This journal is © The Royal Society of Chemistry 2017

J. Anal. At. Spectrom., 2017, 32, 205–211 | 211