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Mass Spectrometry Als Vol. 15 No. 3 July/September 2019 SPECTROSCOPY asia The essential magazine for spectroscopists in the Asia/Pacific region Global Hg pollution from artisanal gold mining Soil organic matter using vis-NIR spectroscopy Are omics the death of Good Sampling Practice? Vol. 15 No. 3 July/September 2019 ISSN 1743-5277 SPECTROSCOPY asia The essential magazine for spectroscopists in the Asia/Pacific region Global Hg pollution from artisanal gold mining Soil organic matter using vis-NIR spectroscopy CONTENTS Are omics the death of Good Sampling Practice? 3 Editorial 4 News Karl Norris: Father of NIR spectroscopy; First MS images recorded using MAIV; Terahertz QCL without cryogenic cooling Soil organic matter can be determined Reducing global mercury pollution using visible-near infrared spectroscopy and 6 machine learning, providing a green method- from small-scale artisanal gold mining ology for the analysis. Find out more in the article starting on page 11. Peter W.U. Appel and Kim H. Esbensen 11 Determination of soil organic Publisher matter using visible-near infrared Ian Michael ([email protected]) spectroscopy and machine learning Felipe Bachion de Santana, Sandro Keiichi Otani, André Marcelo de Souza and Advertising Sales Ronei Jesus Poppi UK and Ireland Ian Michael Spectroscopy Asia, 6 Charlton Mill, Charlton, Chichester, West Sussex PO18 0HY, 15 Tony Davies Column: Are omics United Kingdom. Tel: +44-1243-811334, Fax: +44-1243-811711, the death of Good Sampling Practice? E-mail: [email protected] Antony N. Davies and Roy Goodacre Americas Joe Tomaszewski John Wiley & Sons Inc. 18 Sampling Column: Passing a Tel: +1-908-514-0776 E: [email protected] milestone: the successful WCSB9 Lili Jiang and Kim H. Esbensen Europe and the Rest of World Vanessa Winde Wiley-VCH Verlag GmbH & Co. KGaA, 22 Products at ASMS 2019 Boschstraße 12, 69469 Weinheim, Germany Ian Michael Tel: +49 6201 606 721 E-mail: [email protected] New Products Circulation 27 Spectroscopy Asia Subscriptions, IM Publications, 6 Charlton Mill, Charlton, Chichester, West Sussex PO18 0HY UK. 29 Diary E-mail: [email protected] Spectroscopy Asia is a controlled circulation journal, published four times a year and avail- able free-of-charge to qualifying individuals in the Asia–Pacific region. Others can subscribe at the rate of €120 (Europe), £83 (UK), $160 (ROW, postage included) for the four issues published in 2016. All paid subscription enquiries should be addressed to: Spectroscopy Asia, John Wiley & Sons Ltd, Journals Administration Department, The Atrium, Southern Gate, Chichester, West Sussex PO19 8SQ, UK. Spectroscopy Asia is a joint publication of John Wiley & Sons Ltd, The Atrium, Southern Copyright 2019 John Wiley & Sons Ltd and IM Publications LLP Gate, Chichester, West Sussex PO19 8SQ, UK, and IM Publications, 6 Charlton Mill, Charlton, All rights reserved. No part of this publication may be reproduced, stored in a retrieval Chichester, West Sussex PO18 0HY, UK. system, or transmitted, in any form or by any means, electronic, mechanical, photocopy- ing, recording or otherwise, without the prior permission of the publisher in writing. Vol. 15 No. 3 Printed in Singapore by C.O.S. Printers Pte Ltd. July/September 2019 2 SPECTROSCOPYASIA VOL. 15 NO. 3 (2019) EDITORIAL I am sure that all of you are well aware alone is estimated to be 3000 tons— will be key to this. Current methodolo- of the multiple threats to the Earth, and 37 % of global mercury pollution! Whilst gies are time-consuming and expensive, its population (human and other), from this causes local pollution, much of but visible-near infrared spectroscopy our activities. Pollution, climate change, the mercury ends up being distributed has the potential to replace them. Sound deforestation; the list goes on and. around the world as droplets in “mercury familiar? When Kim Esbensen (Spectroscopy Asia flour”. This enters the water supply and In the Tony Davies Column, “Are omics Sampling Column Editor and Editor of hence the food chain of us and other the death of Good Sampling Practice?”, TOS Forum) sent me an article for prep- animals. Amongst all the bad news, there Tony Davies and Roy Goodacre raise aration for TOS Forum, I was horrified by is a glint of good news. Chemistry can some issues around the reliance just on what it reported. I and Kim are keen to come to the rescue and can help recover vast quantities of data collection in omics share it as widely as possible. The result the mercury left behind by the process, experiments. As they put it, should we is an abridged version of the article “in and, because gold itself is a by-product, “just keep throwing the mass spectra, press” in TOS Forum. The full version the process could be self-funding. nuclear magnetic resonance data sets is freely available for those who to dig In our second article, “Determination and our ion mobility fingerprints onto a deeper and is referenced in the article. of soil organic matter using visible-near big pile for the statisticians to fight over?”. There are now a huge number of infrared spectroscopy and machine learn- We have two reports from meetings. small-scale gold miners who scratch a ing”, Felipe Bachion de Santana, Sandro The Sampling Column reports from the living (literally) from poor-quality gold Keiichi Otani, André Marcelo de Souza 9th World Conference on Sampling and deposits. One essential step in the and Ronei Jesus Poppi describe work Blending held recently in Beijing and we process to produce the end product, they are doing to develop a green meth- have a round-up of new mass spectrom- pure gold, uses mercury to capture the odology to determine soil organic matter. etry products announced at the annual gold mixed in with rock and other miner- If the World’s population is to be fed in American Society for Mass Spectrometry als. The quantity of mercury released the future, improvements to agricultural conference in Atlanta. annually by small-scale gold miners productivity are required and soil fertility We’re on your wavelength The essential magazine for spectroscopists in the Asia–Pacific region ■ Choose print and digital editions ■ Keep up-to-date with news, products, webinars, applications and much more ■ Register for your own, free copy: it’s quick and easy spectroscopyasia.com/register VOL. 15 NO. 3 (2019) NEWS Karl Norris: Father of in tissue imaging and profiling experi- NIR spectroscopy ments as it facilitates their identification We are sad to announce that Karl Norris by tandem mass spectrometry. passed away peacefully on 17 July 2019 Professor Malcolm Clench and his at the age of 98. Karl is rightly known group at Sheffield Hallam University as the “father of near infrared spectros- have recorded the first mass spectrom- copy”. He invented the technique while etry images using MAIV mass spectrom- working at the USDA Instrumentation etry, and the results are published in Research Laboratory, Beltsville, USA. JSI—Journal of Spectral Imaging (doi: He had a deep understanding not only 10.1255/jsi.2019.a12). They modified of the instrumentation but also of the the mass spectrometer’s sampling cone relation of spectra and chemistry. With and optimised instrumental parameters his home-coded software, he regu - to enable an area of ~5.3 mm diame- larly won the chemometrics “Shootout” ter to be sampled. Imaging of a horizon- at the International Diffuse Reflectance tal section of a rat brain recorded lipids’ Conference in Chambersburg, PA, until signals at good sensitivity and selected he graciously stood down and let others ion signals could be overlaid to produce have a chance! spatial information. The whole of the NIR spectroscopy Further work is under way to investi- community as well as the billions who gate improvements to the sampling area benefit from its applications owe so Karl Norris at Beltsville with the Cary 14 in that can be obtained. It remains to be much to Karl. the background, photographed in 1982. seen whether the selectivity in sampling area obtainable in MAIV mass spectrom- etry experiments will make it a viable First MS images and at ambient temperature, gas-phase technique for imaging. However, the data recorded using MAIV analyte ions were observed. Mass spec- acquired so far suggest that there may The MAIV (matrix-assisted ionisation tra recorded under these conditions be a role for MAIV in mass spectrometry in vacuum) mass spectrometry tech - contained multiply charged ions and imaging. nique was developed by Professor were very similar to those produced by Sarah Trimpin and her group in 2012. electrospray ionisation. One significant Terahertz QCL without They observed that as 3-nitrobenzoni- advantage of the MAIV technique is that cryogenic cooling trile (3-NBN), a solid-state crystal matrix, it generates multiply charged ions from Terahertz (THz) radiation opens up sublimed under an intermediate vacuum peptides and proteins. This is of interest intriguing prospects for non-invasive imaging and non-destructive quality control, among other applications. But whereas there is no shortage in ideas for potential uses, their implementation is hampered by a lack of practical tech- nologies for generating and detecting THz radiation. Lorenzo Bosco, Martin Franckié and colleagues from the group of Jérôme Faist at the Department of Physics have reported the creation of a THz quan - tum cascade laser (QCL) that operates at a temperature of 210 K (–63 °C). That is the highest operational temperature achieved so far for this type of device and one where no cryogenic coolants are needed. QCLs operate according to a funda - mentally different concept from other seimiconductor lasers. In short, they are built around repeated stacks of precisely engineered semiconductor MAIV-MS lipid profiles (a and b) from a rat brain section.
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