Sitting Down with Technician-Turned-Trailblazer

OCTOBER 2019 #81

Upfront In My View Solutions Sitting Down With The explosives experts Analytical power in METLIN: half a million Technician-turned-trailblazer, fingerprinting fireballs public hands and counting Dame Carol Robinson

11 15 – 16 44 – 46 50 – 51

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For Research Use Only. Not for use in diagnostic procedures. ª5IFSNP'JTIFS4DJFOUJmD*OD"MMSJHIUT SFTFSWFE"MMUSBEFNBSLTBSFUIFQSPQFSUZPG5IFSNP'JTIFS4DJFOUJmDBOEJUTTVCTJEJBSJFTVOMFTTPUIFSXJTFTQFDJmFE Image of the Month

Crystal Maze A 2,5-hidroxybenzoic acid matrix-assisted laser desorption/ionization matrix cocrystallized with a fluorescein isothiocyanate- conjugated peptide. The sample was created by Ben Katz, a proteomics specialist at the University of California, Irvine, to improve resolution and lower background noise. Follow Ben on Twitter @ProteinMassSpec. Credit: Nicole Green, Iowa State University, USA.

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www.theanalyticalscientist.com Contents

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03 Image of the Month Upfront In My View

08 Tipping the Scales 14 Native protein LC-MS 07 Editorial is leading the way in new The Power and The Passion by 10 Stimulating and Sensing assay technologies, says Matthew Hallam Insulin Secretion Matthew Lauber

11 Explosive Experimentation 15 Michel Nielen reflects on the On The Cover rise of citizen science in the 12 Lotion in the Ocean food industry Sometimes the simplest approach is best… The Power List 16 Naidong Weng discusses 2019 is here. how budding chemists can enjoynjoy a successful international careerreer

Analthe ytical Scientist  ISSUE 81 - OCTOBER 2019 Editor - Charlotte Barker [email protected] Deputy Editor - Matthew Hallam [email protected] Assistant Editor - Jonathan James [email protected] Scientific Director - Frank van Geel [email protected] Content Director - Rich Whitworth [email protected] Publishing Director - Lee Noyes [email protected] Business Development Manager - Gaurav Avasthi [email protected] Head of Design - Marc Bird [email protected] Designer - Hannah Ennis [email protected] Designer - Charlotte Brittain [email protected] Digital Team Lead - David Roberts [email protected] Digital Producer Web/Email - Peter Bartley [email protected] Digital Producer Web/App - Abygail Bradley [email protected] Audience Insight Manager DPO - Tracey Nicholls [email protected] Traffic & Audience Database Coordinator- Hayley Atiz [email protected] Project Manager - Webinars - Lindsey Vickers [email protected] Traffic Manager Jody- Fryett [email protected] Traffic Assistant Dan- Marr [email protected] Events Manager - Alice Daniels-Wright [email protected] Events Coordinator - Jessica Lines [email protected] Marketing Manager - Katy Pearson [email protected] Marketing Executive - Jo Baylay [email protected] Social Media Manager - Joey Relton [email protected] Financial Director - Phil Dale [email protected] Accounts Assistant - Kerri Benson [email protected] Chief Executive Officer - Andy Davies [email protected] Chief Operating Officer - Tracey Peers [email protected] 44 Senior Vice President (North America) - Fedra Pavlou [email protected] Commercial Director - Richard Hodson [email protected] Editorial Advisory Board Monika Dittmann, Agilent Technologies, Germany Norman Dovichi, University of Notre Dame, USA Gary Hieftje, Indiana University, USA Emily Hilder, University of South Australia, Australia Features Reports Ron Heeren, Maastricht University, The Netherlands Tuulia Hyötyläinen, University of Örero, Finland Hans-Gerd Janssen, Unilever Research and Development, The Netherlands Robert Kennedy, University of Michigan, USA Samuel Kounaves, Tufts University, USA 18 The Power List 2019: Top 100 13 Supercharging Spectrometry Martin Gilar, Waters, USA Luigi Mondello, University of Messina, Italy Celebrating the achievements Peter Schoenmakers, University of Amsterdam, The Netherlands Robert Shellie, Trajan Scientific and Medical, Australia Ben Smith, University of Florida, USA of the Top 100 most influential Frantisec Svec, University of California at Berkeley, USA Ian Wilson, Imperial College London, UK figures in the field Frank Bright, University at Buffalo, USA Chris Harrison, San Diego State University, USA 48 Spotlight On... Change of address [email protected] Technolog y Hayley Atiz, The Analytical Scientist, Texere Publishing Limited, Booths Park 1, Chelford Road, Knutsford, Cheshire, WA16 8GS, UK General enquiries Department www.texerepublishing.com [email protected] +44 (0) 1565 745 200 44 Solution: METLIN at 500k Sitting Down With [email protected] Distribution: by Gary Siudzak The Analytical Scientistt (ISS (ISSNN 2051-4 2051-4077), is published monthly by Texere Publishing LiLimited,d, 50 SittingSittin Down With… Booths Park 1, Chelfordrd Road, Knutsford, Cheshire,Che e, WA16 8GS, UK. Singlele copy sales £15 (plus postage,post Carol RRobinson, Professor of cost available on requestest info@[email protected] icalsienti com). Non-quaNon-qualifiedd annual annual subscription subscription cost cost is is Chemistry,Chemis University of £110£1 plus postagepostag Reprints & PermissionPermissions – [email protected]@texerepublishing.com Oxford,Oxford Oxford, UK The opinions presenteded withinwithin tthis publicationblication areare thosethose ofof thethe authorsauthors andand dodo nnot reflect the opinions ofThe The Analy Analytical Scientistentist or orits its publishers, publishers, Texere Texere Publishin Publishing. Authors are requiredd to disclose any relevantant financial arrangements, which arare presented at the endd of each aarticle,r where relevant. © 2017 Texerere Publishing Limited. All rightsts reservedreserved. Reproduction in wholeole or in parts iiss prohibitprohibited.ed make the difference The i-volution in HPLC analysis continues

The popular i-Series of compact (U)HPLC systems has now Flexible software control evolved to the Plus family of Prominence-i and Nexera-i systems. by Shimadzu LabSolutions LC/GC, LC-MS or DB/CS for full The new line of products combines high-speed analysis with FDA 21 CFR Part 11 compliance. Software packages from other simplified method transfer, automated sample pre-treatment, vendors are also supported minimized environmental impact and easy maintenance. It tar- gets pharmaceutical, chemical and food industries.

Significantly improved analytical productivity through automated pre-treatment functionality resulting in increased efficiency and reduced risk of human error

Wide range of application fields such as R&D activities, specification tests and quality control Plus family Prominence and Nexera-i www.shimadzu.eu/i-series The Power and The Passion The Power List 2019 highlights the strengths of Editorial analytical science – and the community behind it

he Power List 2019 has landed – a celebration of the top 100 most influential figures in analytical science. Curating the list (collecting nominations received Tfrom across the globe, working closely with our judging panel, and corresponding with all 100 nominees) has been a lengthy process – but also a privilege. Few fields are supported by a workforce that can lay claim to the level of dedication and passion that our community exudes. Whether speaking of fundamentals or applications, biology, the environment or beyond, it’s clear to see that immersion in this field is closely tied to a real belief in its purpose. And that’s likely why the field is so highly connected – and brimming with positivity. As Paul Bohn notes, we have “terrific colleagues all over the world,” and this translates not only into prime opportunities for enjoyable and fruitful collaboration, but also into a tightly knit network of support that helps propel each of us forward to tackle the problems ahead. To thrive, we must move with the times; as such, to quote Caroline West, analytical chemistry is “a dynamic science that changes rapidly.” The perpetual progress in our field is highlighted by advances in instrument miniaturization, usability and portability, and the application of artificial intelligence and automation. Increasingly, instrumentation is moving away from labs and into the real world. What’s more, the continuous streamlining of the analytical process means that these increasingly portable technologies are providing data that can be interpreted and used in record time. Of course, all of these endeavors feed into a single end goal (likely the reason we were drawn to science in the first place): to understand our universe and improve lives. For analytical scientists, this mission can take many paths – medicine, agriculture, technology, space exploration, and many more – but, whichever direction we choose, we rarely have to walk alone, instead working within increasingly diverse, passionate and motivated teams. I’m sure Ljiljana Paša-Tolić isn’t the only one that would say they love “being part of this great community.” Overall, there are many lessons to be learned from the Power List, but they can be simply summarized for the entire analytical community: we’re a busy bunch and we love what we do.

Matthew Hallam Deputy Editor

www.theanalyticalscientist.com 8 Upfront

Upfront ReportingReporting on researcresearch,h, ppersonalities,ersonalities, ppoliciesolicies anandd partnerships that araree sshapinghaping analytical science.

WWee welcome informationinformation on interestininterestingg cocollaborationsllaborations or researchresearch ththatat hhasas reallyreally caucaughtght your eye, in a good oorr bbadad way. Email:Email: ccharlotte.barkerharlotte.barker @@texerepublishing.comtexerepublishing.com

beverages, paint, cosmetics and beyond. Tipping the But, as the high carbon footprint (and toxicity) of many of these pigments Scales becomes more apparent, the demand for more environmentally friendly alternatives Alternatives to environment- grows stronger. Did you know that damaging paint additives titanium dioxide – prized for its whiteness may come from an unlikely – contributes almost 75 percent of a paint source: the beauty of bugs can’s carbon footprint? Inspired by such revelations, Andrew The vibrant orange of a toucan’s beak. Parnell and colleagues set out to find an The emerald green of a turtle’s shell. The alternative (1). The Cyphochilus beetle, striking red of a field of tulips. Nature is noted for its opaque, white scales, has full of stunning examples of mesmerizing proven an unusual specimen; its color can color and beauty – as they say, “nature does be attributed to light scattering (where it best.” Attempts to mimic these tones is refraction and reflection of light inside an active area of research, gifting today’s the scale is responsible for its color, shade, scientists with an ever-growing library of tone, and hue) rather than the result of synthetic compounds for application in food, color pigments. Upfront 9

To avoid damaging the beetle’s copycat scale made use of scanning electron “A whole plethora of different architectures delicate scales, the team used X-ray microscopy, spectroscopic ellipsometry exist. We are just scratching the surface at nanotomography – a non-invasive and microspectroscopic measurement, present.” No pun intended. approach – to study the 3D nanostructure. among other approaches. “It turns out that In the spirit of collaboration, the group “The first thing we noticed was that the you can get back the exact same response are now putting together a paper that structure was continuous,” says lead from our model that you get from the will allow others to manipulate the data author Stephanie Burg. From there, the beetle scale,” says Burg. Now come the obtained from these studies. “We want team generated two hypotheses: firstly, challenges inherent to translating these people to develop their own models, that the structure was likely established findings into environmentally sustainable exploring aspects of the problem we at a single point in time during the products. “We’ve had some promising haven’t looked into,” says Parnell. beetle’s development; and secondly, that preliminary results, but formulation So why did the beetle evolve to be ultra- this process might be easily replicated chemistry is a difficult thing to crack,” white? Parnell has a number of theories – and reproduced. says Parnell. “But that’s a puzzle for another day.” To test the latter, the researchers While tackling that challenge, Parnell coupled advanced modeling software has found additional inspiration in the Reference with liquid-liquid phase separation form of Parides sesostris – a vibrant-green 1. SL Burg et al., “Liquid-liquid phase separation technology to create a synthetic variant of butterfly. “We’re keen to fully grasp morphologies in ultra-white beetle scales and a the scale, comprising a highly reflective this concept of synthetic iridescence by synthetic equivalent”, Commun Chem 2, 100 (~94 percent) white film. Analysis of the studying a variety of organisms,” he says. (2019). DOI: 10.1038/S42004-019-0202-8

www.theanalyticalscientist.com 10 Upfrontfro

Seeking a new approach, Kit Parker into the patient,” he says. Though the Stimulating and and colleagues at Harvard and The device has hurdles to jump ahead of University of Florida combined clinical use, Parker believes it could Sensing Insulin microfluidic technology and stem have an immediate impact on diabetes cell biology to develop an “islet-on- research: “There is a lot to learn about Secretion a-chip” device capable of measuring diabetes using tools like this. This insulin secreted in response to glucose granular understanding of the temporal An “islet-on-a-chip” device stimulus (2); more specifically, the dynamics of cells is unprecedented, could inform beta cell device is able to continuously sense and it’s likely that future findings transplantation – and diabetes and quantify insulin secretion by an will challenge the established canons research as a whole automated, on-chip immunoassay and in diabetes.” fluorescence anisotropy, respectively. Diabetes is a global issue of increasing “By incorporating microfluidics and References magnitude. In 2017, at least 30 million optical sensors into a single device, 1. CDC, “National Diabetes Statistics Report, people in the US had the condition – and we’ve been able to acquire reams 2017” (2017). Available at: https://bit. another 85 million could be described of information regarding cellular ly/2tnbN35. Accessed September 4, 2019. as “prediabetic” (1). Beta cell transplants performance and response times in 2. AL Glieberman et al., “Synchronized represent one therapeutic avenue, but near-real time,” says Parker. stimulation and continuous insulin sensing in current approaches for confirming the “Now that we have a tool, we can a microfluidic human Islet on a Chip designed post-transplant functionality of these cells begin to develop protocols around for scalable manufacturing”, Lab Chip [Epub are labor intensive and time consuming, quality control – this will help us to ahead of print] (2019). DOI: 10.1039/ producing data that are difficult to interpret. know exactly what we are transplanting c9lc00253g TOSOH BIOSCIENCE 30 YEARS IN EUROPE

Explosive Experimentation

A holistic view of fireballs: infrared spectroscopy facilitates the acquisition of continuous chemical data from explosions

What? Researchers have developed a novel method to study explosions using infrared spectroscopy. Specifically, broadband Swept-wavelength external cavity quantum cascade laser (swept- ECQCL) spectroscopy allows the acquisition of absorption spectra for chemical products produced within explosive fireballs – with the impressive sampling rate of 500 kHz (1). PROVEN SEC TECHNOLOGY FOR UHPLC ANALYSIS OF BIOPOLYMERS

How? UP-SW2000 for SEC of peptides, small proteins, and oligonucleotides Directing a laser generated by the UP-SW3000 trusted particle technology for antibody analysis swept-ECQCL device through the Seamless method transfer from HPLC to UHPLC fireball, the team were able to monitor Powered by more than 40 years of experience in SEC changes in chemical composition over To find out more about our gel filtration columns for UHPLC visit us at bit.ly/UP-SW2000 the first 10 ms post-explosion. Beyond that initial period, and up to the 100 second mark, the team used broadband high-resolution absorption spectra acquired over the spectral range of 2050–2300 cm−1 at a 100 Hz rate. The study examined four types time-resolved data on physical chemical data as the explosion unfolds. of high-energy explosive during conditions, but provide no chemical The team are optimistic that future detonation in a purpose-built, blast- information. Meanwhile, laboratory endeavors – including extending resistant chamber. Many products analysis only grants access to accurate the range of wavelengths studied are produced during such explosions, chemical profiles of starting materials – will provide insight across a among them carbon dioxide, carbon or end products – leaving a need range of disciplines, from crime monoxide, water vapor, and nitrous for guesswork or modeling to fill in scene investigation to explosives oxide, and each can be distinguished the gaps. manufacturing and management. by its infrared absorption pattern. In contrast, optical measurement techniques, which can be performed Reference Why? from a safe distance (a crucial benefit 1. M C Phillips et al., “Characterization of The fleeting nature of detonation in this application), have a sufficiently high-explosive detonations using broadband presents analytical challenges. Certain rapid response – typically limited by infrared external cavity quantum cascade probes (for example, thermocouples the speed of optical detection – and can laser absorption spectroscopy”, J Appl Phys, or pressure transducers) can produce therefore provide a stream of continuous 126 (2019). DOI: 10.1063/1.5107508

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inorganic nutrients from sunscreens into Lotion in marine ecosystems; understanding these risks will be critical for governments the Ocean concerned with sustainable growth and development in coastal regions. The presence of sunscreen compounds in seawater is What analytical techniques did unlikely to be good for marine you employ? ecosystems, but just how bad Using inductively coupled plasma (ICP)- is the problem? MS after chemical digestion, we determined the metal (aluminum, cadmium, copper, The benefits of applying sunscreen during manganese, molybdenum, nickel, lead, a well-deserved beach holiday are widely cobalt, and titanium) and total phosphorus acknowledged, but the environmental and silicon content of sunscreens. To impact of these products is less well known. determine the quantity of metals released In addition to UV filters, commercial from the sunscreen to the seawater after sunscreens contain a variety of further the experimental exposure, we pre- ingredients, making sunscreen a complex concentrated seawater samples using a matrix that is difficult to manage both liquid-organic extraction method before analytically and environmentally. Now, analysis – again using ICP-MS. The researchers have developed a kinetic model concentrations of inorganic nutrients in capable of determining the behavior, sunscreen and seawater samples were variability, and contribution of metals determined using colorimetric techniques and inorganic nutrients from sunscreens in parallel. to seawater composition. We spoke to We then modeled the data obtained Araceli Rodríguez-Romero, one of the from our laboratory experiments using What are your next steps? project leads, to find out more. Aspen Custom Modeler Software. We plan to test our model using other commercial sunscreens – including those What inspired the work? What did you uncover? labeled as “ecofriendly.” We also want to The quality of our oceans – home to We’ve been able to explore numerous sample coastal waters throughout the rich biodiversity and invaluable natural key variables describing the effects of day to verify the results obtained in the resources – can be affected by excessive dissolved trace metals and inorganic lab; this will allow us to evaluate the human pressures. We are well aware of nutrients from sunscreen products on true impact of sunscreens on marine many pollution contributors – plastic, marine coastal waters. Release rates (from ecosystems. At the same time, we are microbeads, and chemical toxins sunscreen into seawater) were greater also working to create and promote a to name just a few. In recent years, under higher UV light conditions for all new network dedicated to fostering attention has turned towards sunscreens. compounds, with the exception of lead. scientific collaboration between Organic (oxybenzone, octinoxate) and Notably, titanium and phosphorus were researchers working in the field, the inorganic (TiO2, ZnO) UV filters – the most readily affected by changes in cosmetics industry, and the public and as well as other innumerable other UV light. As algal blooms in oligotrophic private sectors. compounds that are incorporated into waters such as the Mediterranean Sea sunscreen formulations – are emerging are, in part, influenced by an increase of Reference as contaminants of aquatic ecosystems. phosphorous, it is clearly of importance 1. A Rodríguez-Romero et al., “Sunscreens as a Policymakers need to be well informed to understand the risks associated with new source of metals and nutrients to coastal if they are to implement strategies that sunscreens released into marine coastal waters”, Environ Sci Technol, [Epub ahead of protect marine environments, and drive ecosystems. We hope that our elemental print] (2019). DOI: 10.1021/acs.est.9b02739 Good Environmental Status. Hence, release model might form the basis of we wanted to develop a tool capable future models that incorporate further of modeling the release of metals and chemical and environmental variables. SponsoredSpons Feature  13

Supercharging Spectrometry

Our analytical capabilities have exploded since the LC-MS revolution of the 1980s – but where will our curiosity take us next?

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https://sciex.com 14  In My View

have relied largely on denaturing Wanted: Native conditions that afford sensitive detection In My but also restrict our ability to investigate Protein LC-MS protein conformations and interactions. In short, techniques that couple native View Complex biologic separations to MS analysis are needed. characterization demands a Genuine limitations in reagent and In this opinion section, new era of assay technology column technologies have long stifled experts from across the – the analytical community progress. But that’s not to say we’re not must seize the opportunity moving forward: for example, Bifen Chen, world share a single Ying Ge, and colleagues successfully strongly-held view or used volatile salts to directly connect key idea. hydrophobic interaction chromatography with a mass spectrometer in 2016 (1). They then applied this method to the Submissions are welcome. interrogation of monoclonal antibody Articles should be short, samples (2), highlighting the potential focused, personal and for us to selectively separate intact drug passionate, and may isoforms and immediately access MS information for peak identification. This deal with any aspect of By Matthew A. Lauber, Waters is particularly beneficial to those looking analytical science. Corporation, Milford, Massachusetts, USA. to characterize cysteine-linked ADCs and They can be up to 600 bispecific antibodies that would otherwise words in length and The biologics field is booming and dissociate under denaturing conditions. showing no signs of slowing down. As In parallel, Yann LeBlanc and written in the first the biotech industry has developed, Guillaume Chevreux have started to person. it has adopted advanced engineering establish robust, MS-compatible ion techniques to produce antibody- exchange separations, including the Contact the editors at drug conjugates (ADCs), bispecific demonstration that ammonium formate charlotte.barker monoclonal antibodies and new types and acetate can be used to carry out of fusion protein scaffolds – and the salt-mediated pH gradient separations @texerepublishing.com products are becoming increasingly of monoclonal antibodies (3). This complex. Yet complexity is no excuse for seminal work has ushered in a new wave compromise when it comes to patient of publications, each describing equally safety or lot-to-lot reproducibility, interesting separations – everything so analytical assays must be up to the from traditional isoelectric focusing challenge of converting complicated to pH gradients supplemented with biomolecular puzzles into tractable, significant increases in ionic strength (4, well-characterized molecules. 5). But when will these novel methods There is no one-size-fits-all method find their way into routine labs? for addressing every characterization Adoption of novel technologies is challenge presented by these new never easy, but the potential rewards modalities, but it is reasonable to suggest make the venture more than worthwhile. that LC and MS will play a central Of course, if we are to develop robust role. Advances in LC-MS have made it methods that can reproducibly yield easier than ever to confirm recombinant easy-to-interpret mass spectra, it will protein sequences and to investigate be important to remain scrupulous product-related impurities. However, about reagent quality. And that will LC separations coupled to MS detection require that we learn from those In My View  15

working on high sensitivity trace metal MS is bright, and the ever-evolving to native mass spectrometry: Case study after a quantitation; here, the most important complexity of biopharmaceuticals gives long-term storage at +5C”, J Chromatogr B factor to consider is purity. Certified just cause for investigators to make Analyt Technol Biomed Life Sci, 1048, 130 reagents and high-quality plastics fast-paced improvements to emerging (2017). DOI: 10.1016/j.chromb.2017.02.017 should be used for mobile-phase approaches. Only time will reveal the 4. E Farsang et al., “Optimization of MS- preparation to avoid the formation upper capabilities of these approaches, compatible mobile phases for IEX separation of of salt adducts. Likewise, the use of but I for one am confident and excited monoclonal antibodies”, Chromat Onl, 5, 29 different types of volatile salts will to see where such research takes us. (2019). Available at: https://bit.ly/30NCw5w require diligent investigation to better 5. F Fűssl et al., “Charge variant analysis of understand their effects on electrospray References monoclonal antibodies using direct coupled pH ionization. Nevertheless, by wielding 1. B Chen et al., Online hydrophobic interaction gradient cation exchange chromatography to high-resolution, MS-compatible chromatography - massspectrometry for high-resolution native mass spectrometry”, native separations, the field will be top-down proteomics”, Anal Chem, 88, 1885 Anal Chem, 90, 4667 (2018). DOI: 10.1021/ able to explore new depths of sample (2016). DOI: 10.1021/acs.analchem.5b04285 acs.analchem.7b05241 characterization; these new separations 2. B Chen et al., “Online hydrophobic interaction 6. K Giles et al., “A cyclic ion mobility-mass may be coupled to the detection of chromatography - mass spectrometry for the spectrometry system”, Anal Chem, 91, 8564 native-like gas-phase conformations analysis of intact monoclonal antibodies”, Anal (2019). DOI: 10.1021/acs.analchem.9b01838 using a cyclic ion mobility separator Chem, 90, 7135 (2018). DOI: 10.1021/acs. 7. EE Pierson et al., “Resolving adeno- (6), or applied to the detection of large analchem.8b01865 associated viral particle diversity with charge megadalton complexes using charge 3. Y Leblanc et al., “Charge variants detection mass spectrometry”, Anal Chem, 88, detection MS (7). characterization of a monoclonal antibody by 6718 (2016). DOI: 10.1021/acs. The future of native protein LC- ion exchange chromatography coupled on-line analchem.6b00883

Food safety was once considered a given, Consider another angle: reducing food Citizen Science but the widely reported scandals of spoilage is of the utmost importance recent years have refocused the public’s across the globe. But how do consumers and Food Safety attention and brought to life the reality know if food is good to eat or a danger that food adulteration is an ever-present to health with vague statements on Public food safety testing is risk. Accordingly, food analysis acts the package such as “best before....” or in our sights – but we must as a front line of defense against such “may contain....”? The human nose is not prepare accordingly to ensure dangers. But current approaches are only always good enough... that faith in experts persists partly effective. I believe that both of these issues In the September 2019 issue of The could be tackled by the availability Analytical Scientist, Chris Elliott, of devices that provide near-real-time Hans-Gerd Janssen and I discussed food quality data acquired at critical these issues in light of the hot topics points in the appropriate supply to be discussed at RAFA 2019 (1). The chain. In fact, simplified handheld consensus: while current approaches analytical instruments with wireless offer a high level of protection against connectivity and GPS-dependent food fraud, these services are costly positioning capabilities would be a and inefficient. Though we do a good valuable asset; such devices could be job of detecting non-compliance in developed for use by non-experts, about 1 percent of all samples collected, who could even use infrared scanners By Michel Nielen, Wageningen Food Safety is that a good enough hit rate? If 99 hooked up to their smartphones for Research (WFSR), part of Wageningen percent of samples are compliant, is instant results. In this arena, near- University & Research, Wageningen, the administrative and logistical effort infrared food scanners, smartphone The Netherlands. undertaken to assess them wisely spent? readers for dipstick immunoassays and

www.theanalyticalscientist.com 16  In My View

even transportable mass spectrometers industry and food inspection labs wireless connectivity, poor data may connected to laptops or tablets are must maintain an in-depth knowledge (and should) be automatically flagged already commercially available. of the quality and validation status by a remote central laboratory expert The advantages of this approach are of handheld devices available to the prior to viewing by the stakeholder to obvious – as are the disadvantages. At public, and should also continue to minimize the negative consequences of the cost of efficient monitoring, reduced identify currently unknown food sharing them. spoilage and a much-widened pool of contaminants through profiling Perhaps most importantly, however, food testing data, we open the door and metabolomics-like workflows; analytical scientists must further develop to the potential use of poor-quality handheld devices will need to be their communication with the general equipment and poorly performed tests adapted to include these contaminants public to improve attitudes when dealing to obtain and spread inadequate data via as soon as they are discovered. with doubts regarding laboratory testing. social media, leading to a reduced level Coupled with appropriate training for Though some such doubts may be of public trust in analytical approaches technicians and researchers, such steps justified, we are clearly aware that the as a whole. In that sense, the rise of may truly allow the significant shift large majority are not. Allowing the so-called “citizen scientists” – able to from benchtop screening to handheld, public to share in this faith will be key produce their own data using devices on-the-go testing. to the safe implementation of layman of which they have little-to-no real I estimate that analytical power food testing – ultimately, improving knowledge – may harm our field; the will reach the hands of the public in food safety as a whole. opinions of experts may be replaced as soon as five to ten years. Beyond by those of the next fraud discoverer the food industry, those designing References wielding their fit-for-all monitoring analytical instruments must incorporate 1. M Nielen, C Elliott, H-G Janssen, device, with no regard for the quality quality-by-design principles in their “Today’s Menu: Sound Science”, or method of functioning of the device manufacturing processes, leading to The Analytical Scientist (2019). Available at: itself. Charlotte Barker explored the foolproof measurements that eliminate https://bit.ly/2lP9BhI point in her editorial, noting the scope (where possible) false-positive and 2. C Barker, “Analytical Science Breaks Free”, The for both risk and potential (2). false-negative results with strict Analytical Scientist (2019). Available at: Moving forwards, both the food quality control features. Thanks to https://bit.ly/2kBVyfn

fashion. The data an analytical scientist Around the generates in China might be used as part of a regulatory filing for novel medicines as World in 80 far away as Australia, Brazil or Italy; as the old adage goes, “all roads lead to Rome.” Assays There’s more than one pathway you can follow to establish yourself internationally Analytical chemistry is an in this field, but I’d like to share a few pieces essential global network Analytical chemistry is key to advancing of advice that have helped me in my career. – here’s my advice on how human well-being. From identifying novel When opportunities to get more involved to navigate this exciting therapeutics to supporting the fight against in global projects present themselves, world and build a successful climate change, pivotal decisions rely on whether it be as a manager or simply a international career the data generated by analytical scientists. member of the team, one must give serious As a result, we operate in a global field, consideration to their involvement and By Naidong Weng, Head of Bioanalysis and establishing an international career seize the opportunity where appropriate. and Pharmacokinetics US East Coast, is a necessity for the majority of scientists Such opportunities come with a degree Discovery Sciences, Janssen, Philadelphia, entering analytical chemistry today. of responsibility, and analytical scientists New Jersey, USA. Though we may not be completely aware must deliver the promised data to a high of it, we constantly operate in a global standard in a timely manner – strong BioLC Innovations...... with Incredible Reproducibility! “The data an analytical scientist generates in China might be used as part of a regulatory filing for novel medicines as far Proteins away as Australia, Antibodies Oligonucleotides Brazil or Italy.” • SEC for high resolved MAbs Peptides technical contributions and collaboration • HIC with exceptional effi ciency are key elements for success. • RP-C4-Widepore with superior stability Joining a professional association can also provide us with valuable experience • IEX for high recovery and allow us to expand our network, which subsequently affords the opportunity to learn from seasoned professional leaders. In China, there is the Chinese American Chromatography Association Discover more at www.ymc.de and Chinese American Society for Mass Spectrometry, volunteer-based, non- profit organizations that focus on helping members to develop their professional same space. Of course, bearing in mind areas also represent an effective way to careers. Both organizations provide cultural differences in such partnerships communicate your research. Volunteering excellent opportunities for young scientists is essential from the beginning of your to review for analytical chemistry journals to get involved in their respective fields by career to the end. We cannot assume that is another approach by which you can contributing to various sub-committees. we automatically know and appreciate build your scientific credentials; reviewing Because of the critical nature of another’s culture; always try to put other scientists’ work can help you build analytical data in such a spread of research yourself in another’s shoes before making connections with journal editors – many areas, the guidelines that act to harmonize assumptions in the scientific community. of whom are renowned experts – and help our methods of working (such as the ICH Peer-reviewed publications and you become a better author and researcher. guidelines on quality, safety, efficacy, presentations at meetings ensure that Success is always lying in wait for and mixed topics) are crucial. Getting one’s presence doesn’t go unnoticed in prepared minds, and each of us must seek involved with the workstream teams the scientific community, and, though out this success on our own path. I do, that contribute to these guidelines is a it’s valuable to publish papers in high- however, hope that my own experiences great way for you to quickly grasp global impact analytical chemistry journals like might help the budding analytical scientists and regional regulations, and to also Analytical Chemistry, publications in of tomorrow; our field is making waves interact with even more scientists in the journals targeted to specific analytical across the globe – and one day you will, too.

www.theanalyticalscientist.com

The Power List is back once again to celebrate the The top 20 are achievements of the most influential figures in analytical chemistry – nominated by our readers and whittled down by our judges to the final 100. From protecting the environment to developing pioneering new technology, our high-octane hundred are making their mark on the analytical sciences – and the world. ranked, while the rest of the list appear alphabetically. AARON WHEELEREELEELLERER

PROFESSOR OF CHEMISTRY,CHEMIISTRY, UNIVERSITY OF TORONTO,TORONNTO, CANADA.

Exciting recent advance:vancevance: TheThe use of microfluidicic d evdevicesices to solve problems in remote or “hard-to-reach”” locationslocations,ons, ADAM WOOLLEY such as inside the borere mamagnet of an NMR spectrometer,rometer, or in PROFESSOR, BRIGHAM YOUNG an isolated refugee camcampp in KenyaKenya.. UNIVERSITY, USA. Research goal: To use mimicrofluidicscrofluidics to develop solutionsns to proproblemsblems Career highlight: Working with a spanning the fieldso fof c hchemistry,emistry, diverse group of excellent students and biology and medicine.ne. colleagues, and being able to watch their continued professional development. The future:I see two key yet diverging directions: miniaturization and simplification through tools like integrated microdevices, paper microfluidics, 3D printing and point- of-care diagnostics, and sophisticated analytical instrumentation that yields ever-increasing amounts of information with improved detection limits.

ALEJANDRO CIFUENTES

PROFESSOR, LABORATORY OF FOODOMICS, SPANISH NATIONAL RESEARCH COUNCIL, SPAIN.

Research goal: Our lab investigates food safety, quality and bioactivity, and we are now working on the application ACHILLE CAPPIELLO of transcriptomics, proteomics and Klaus Biemann at MIT, equipped with metabolomics alongside green processes PROFESSOR OF ANALYTICAL state-of-the-art organic MS equipment. for bioactive compound extraction to CHEMISTRY, UNIVERSITY OF Research goal: To make use of simpler identify substances useful in the fight URBINO, ITALY. and faster LC-MS, and to increase the against Alzheimer’s disease. accessibility of LC-MS. Best part of the job: We frequently need Career highlight: Being a scientist today Nominator comment: “It’s easy to to collaborate with other groups and means operating on an international level, nominate Cappiello for this award due laboratories from institutions across the where industry and academia work in to his extensive publication history, and world, and the publications we produce synergy. I took my first steps into the field contributions to the fields of LC, MS and together are a greatly enjoyable part of of LC-MS interfacing under Professor LC EIMS.” the work. Feature  21

ANDREW DEMELLO

PROFESSOR OF BIOCHEMICAL ENGINEERING & CHAIR OF THE INSTITUTE FOR CHEMICAL AND BIOENGINEERING, ETH ZURICH, SWITZERLAND.

Research goal: The development and ANDRÉ DE VILLIERS application of smart microfluidic tools, PROFESSOR, STELLENBOSCH such as ultra- UNIVERSITY, SOUTH AFRICA. high-throughput imaging flow Career highlight: The opportunity to cytometers able interact, work with and learn from to perform high- leading scientists. resolution cell imaging Exciting recent advance: The rapid from body fluids at rates development of 2D-LC, particularly approaching half a million cells per second. comprehensive 2D-LC, is very exciting. Eureka moment: I’m not sure I’ve had too Many challenges remain, but dedicated many of those, but I will always remember instrumentation and an established the early winter morning when Adam theoretical framework mean it’s a great Woolley and I got our initial results from ALEXANDER time to work in this field. the first lab-on-a-chip device. MAKAROV

PROFESSOR AND DIRECTOR OF RESEARCH, LIFE SCIENCE AMANDA HUMMONMONMON MASS SPECTROMETRY, THERMO FISHER SCIENTIFIC, ASSOCIATE PROFESSOR,O R, THTHEE GERMANY. OHIO STATE UNIVERSITY,S ITY, USA.US A .

Career highlight: It may not have Research goal: My grouproup uses felt this way at the time, but the MS to explore the colonon cancer commercial launch of the very first proteome and phosphoproteome.roteome. Orbitrap mass spectrometer (LTQ We are developing imagingging MMSS Orbitrap) is a definite highlight. approaches to examine molecularmolecular The future:MS is growing in a distributions in spheroids.ds. way akin to the civil aviation Best advice received: Earlyly in my industry – commercially oriented, career, Norman Dovichii warnewarnedd highly automated, regulated and me that dealing with thee rerejectionjection specialized, and slow to change, but and criticism inherent too thethe workwork also indispensable in modern society. can be tough. After a proposal Eureka moment: I’ve had many; when rejection, he said to me: “Be like a I finally understood how to inject ions duck, let it roll off your acback.”k.” WitWithh into the Orbitrap analyzer for one, that in mind, I try not to ttakeake criticism or more recently finding out why the personally, but use it as a way to ions of intact viruses could survive in improve my science instead.ead. the trap for abnormally long periods. 22  Feature

BONNER DENTON

BARBARA LARSEN GALILEO PROFESSOR OF CHEMISTRY & PROFESSOR OF SENIOR TECHNOLOGY FELLOW, DUPONT GEOSCIENCES, UNIVERSITY OF NUTRITION AND BIOSCIENCES, DENMARK ARIZONA, USA.

Passionate about: In short, fitness for purpose Career highlight: My group introduced – whether you are elucidating a structure or high-performance array detectors quantifying product impurity, it’s critical to provide (charge-coupled detectors and charge the best analytical data possible with appropriate injection detectors) to the world of sensitivity and accuracy. analysis, revolutionizing most arenas Research goal: Our work focuses on applying proteomics of low-light spectroscopy. to understand cellular processes at various stages of Exciting recent advance: We have focused fermentation. By combining omics data with a systems on pushing the array detector revolution approach, we can improve the fermentation process by increasing into MS, while also pursuing improved the number of functional cells and reducing the time needed to produce the end product. ion analyzer technologies. Nominator comment: “Time to bring some real ‘power’ to the Power List by celebrating the powerhouse that BERND BODENMILLER is Bonner!”

DIRECTOR OF THE DEPARTMENT OF QUANTITATIVE BIOMEDICINE, UNIVERSITY OF ZURICH, SWITZERLAND.

Exciting recent advance: The breath- taking pace of development in the field of multiplexed and multiscale imaging. Eureka moment: Seeing the first tissue image generated by imaging mass cytometry. Nominator comment: Research goal: To develop experimental “Bodenmiller led the and computational methods to explore development of imaging MS.” tissue ecosystems with spatial resolution.

CAROL ROBINSON CAROLINE WEST

PROFESSOR, UNIVERSITY OF ASSOCIATE PROFESSOR, UNIVERSITY OF OXFORD, UK. ORLÉANS, FRANCE.

Exciting recent advance: In the past year Career highlight: I feel rather too young to have oone!ne! we have observed the ejection of protein But I do see it ahead of me. complexes directly from membranes – Research goal: To improve the understanding of separationaration something I never thought I would see. processes in LC and supercritical LC. Eureka moment: When I first saw the Best part of the job: The diversity of topics. I always telltell mmyy GroEL tetradecamer fly through the students that whatever your interests are (sports, health, mass spectrometer. astronomy, cosmetics or just about anything else) youu can Best part of the job: Seeing something always find a related area of analytical chemistry. It’s’s for the first time, and subsequently also a dynamic science that changes very rapidly – trying to understand what it means! I could never get bored of it. CATHERINE CLARKE FENSELAU

DISTINGUISHED UNIVERSITY PROFESSOR EMERITUS, UNIVERSITY OF MARYLAND, USA.

Best advice received: My Dean once bumped into me in the elevator and told me that I should never again come to work at the medical school wearing green shoes. Research goal: To exploit MS in the biomedical sciences with ingenuity and dedication. Eureka moment: When our MS experiments successfully revealed that acyl-linked glucuronides can alkylate proteins. Best part of the job: We get to play in everybody else’s sandbox, so to speak, which brings many opportunities.

CHARLOTTA TURNER

PROFESSOR OF ANALYTICAL CHEMISTRY AT LUND UNIVERSITY & CHAIR OF THE CATHERINE COSTELLO ANALYTICAL CHEMISTRY DIVISION OF THE SWEDISH WILLIAM FAIRFIELD WARREN CHEMICAL SOCIETY, SWEDEN. DISTINGUISHED PROFESSOR & DIRECTOR OF THE CENTER Career highlight: Receiving my first FOR BIOMEDICAL MASS research grant in Sweden as the “wild SPECTROMETRY, BOSTON card” among those receiving the Igvar UNIVERSITY, USA. Carlsson Award in 2006, and receiving the Svante Arrhenius Award for my CHARLES WILKINS Research: Establishing the structures of research on green analytical chemistry biopolymers to understand structure– in 2017. DISTINGUISHED PROFESSOR OF activity relationships and their influence Research goal: Contribute to sustainable CHEMISTRY AND BIOCHEMISTRY, in biological processes related to health, development by enhancing the value UNIVERSITY OF ARKANSAS, USA growth and development and disease. of renewables like lignin, seaweed and Nominator comment: “Costello is a life- food waste. Career highlight: Development of the first long pioneer in MS and glycoanalysis, Nominator comment: “Lotta serves on Fourier Transform Ion Cyclotron Resonance past president of ASMS, HUPO a number of committees – such as mass spectrometer, which played a key role in and IMSF, and is actively engaged in the Euroanalysis conference series – commercialization of the technique. promoting the careers of young scientists. and made (inter)national headlines by Best advice received: To explore new areas that In glycobiological MS she defined freeing her doctorate student and his others have not – this has led me in a number the oligosaccharide fragmentation family from an Islamic State warzone.” of novel directions in my research life. nomenclature.”

www.theanalyticalscientist.com 24  Feature CORAL BARBAS

CHRISTY HAYNES DIRECTOR OF THE CENTRE FOR METABOLOMICS AND ASSOCIATE HEAD OF THE BIOANALYSIS (CEMBIO), SAN DEPARTMENT OF CHEMISTRY PABLO CEU UNIVERSITY, & DISTINGUISHED MCKNIGHT SPAIN. UNIVERSITY PROFESSOR, UNIVERSITY OF MINNESOTA, Research goal: We develop strategies USA. to obtain reliable identifications and measurements of metabolites in Exciting recent advance: My group’s response to changes such as disease first nanomaterial design project for state, diet and receipt of treatment. agricultural applications is coming to Eureka moment: I began my research fruition (literally)! We’ve been designing career in pharmaceutical analysis, nanoparticles to controllably transform and was sceptical when moving and release nutrients that promote healthy to metabolomics. I was studying a crop growth following uptake by a plant. impact a wide range of fields, because group of infected mice in my early Best part of the job: You’re only limited being able to measure something means days and one was misclassified; when by how widely you read and your that you can make progress towards a representative from the animal imagination. Analytical chemists can understanding it. husbandry pointed out that one of the animals wasn’t infected, I looked at the screen and immediately exclaimed that it must be number 8. All of the animals were ordered on screen by their degree of infection, and I became a believer in metabolomics at that moment!

DAVID MCCALLEY

PROFESSOR OF BIOANALYTICAL DAMIEN ARRIGAN SCIENCE, UNIVERSITY OF WEST ENGLAND, UK. PROFESSOR OF ANALYTICAL CHEMISTRY, CURTIN Career highlight: Being invited to attend UNIVERSITY, AUSTRALIA. the Festschrift conference held in honor of Lloyd Snyder in Ellecom, The The future:We’re heading towards Netherlands, in 2001, where I met many of single-molecule analysis using the researchers responsible for establishing smaller electrodes (interfaces) in the foundations for modern LC. electroanalytical research. Best advice received: After defending my Best part of the job: I still get a kick out thesis in a viva-voce examination at the of seeing our newest papers in print University of Bristol, LS Bark advised and seeing my students transform me to recognize that the most important into experts. piece of equipment in the lab was not the latest ultra-high-resolution linked chromatograph-mass spectrometer, but Nominator comment: a well-maintained analytical balance. “Arrigan is an excellent Nominator comment: “The elusive example of a leading figure combination of a great scientist with who puts others’ interests perfect stage presence; he’s the ‘must before his own.” see’ event at any conference.” DAVIDE BLEINER Research goal: My interests lie in shortening EMPA MATERIALS SCIENCECCC E thethewavelengthe wavelengths applied ap in laser ablation & TECHNOLOGY, microanalysis,m croanalysis, asa well as in leadership LABORATORY FOR and organizaorganizationalanizati practices (Peter ADVANCED Druckerker is my hero). ANALYTICAL EurekaEuE rerekak moment:mome When I realized TECHNOLOGIES, thatthahat allll analanalytical methods are SWITZERLAND. linked.linked With this in mind, we are workingwor on a “green” Best advice received: analyticalanaly instrument There is no such thing thathatha combines hybrid as fundamental or multidimensionalm applied science, only techniques in one useful or useless. approach.

DUNCAN GRAHAM

DISTINGUISHED PROFESSOR & HEAD OF THE DEPARTMENT OF PURE AND APPLIED CHEMISTRY, UNIVERSITY OF STRATHCLYDE, UK. DETLEF GÜNTHER Best advice received: While sitting PROFESSOR AND VICE PRESIDENT in a rowing boat on freezing waters FOR RESEARCH AND CORPORATE off the coast of Gothenburg, I asked RELATIONS, ETH ZURICH, the late Rick van Duyne how many SWITZERLAND. genuinely new ideas I should have as an academic. He said he’d had two, Career highlight: My students. maybe three, genuinely new ideas in Exciting recent advance: The reference- his career, and to try not to force them. free quantification (size and number) of Best part of the job: The great science nanoparticles. and great company; I have a lot of Research goal: Improving our fun doing this job, and that’s what DAVY GUILLARME understanding of fundamental analytical life should be about! processes in the hope of impacting SENIOR LECTURER AND research into real-world problems. RESEARCH ASSOCIATE, UNIVERSITY OF GENEVA, SWITZERLAND. DEIRDRE CABOOTER Career highlight: When I entered the field of biopharmaceutical protein ASSOCIATE PROFESSOR, UNIVERSITY OF characterization by chromatographic LEUVEN, BELGIUM. techniques and their linking to MS in 2011; I think this was the perfect time, The future:The demand for multidimensionalsional and my enthusiasm continues today. techniques is increasing; I anticipate furtherrther Research goal: To improve the quality software developments concerned with analysisis and and safety of biopharmaceutical data interpretation, and also technique optimization.ation. drugs by developing innovative Best part of the job: Getting to do what I love eeveryvery analytical tools. day and hoping it can make a difference. Notot toto mention the great community! Nominator comment: “Publishing and lecturing prolifically, Dwight deserves to progress from the Top 40 Under 40 to the Top 100 Power List.”

DWIGHT STOLL and usability of 2D-LC. The future:Consumers are thirsty PROFESSOR, GUSTAVUS for increasingly automated ADOLPHUS COLLEGE, USA. instrumentation due to difficulties in finding and retaining separations Research goal: Producing innovative experts in some fields, which leads to technologies and approaches to the need to work towards more highly improve the effectiveness, accessibility automated schemes.

EVAN WILLIAMS EMILY HILDER ERIN BAKER PROFESSOR OF DIRECTOR OF THE FUTURE ASSOCIATE CHEMISTRY, INDUSTRIES INSTITUTE, PROFESSOR, NORTH UNIVERSITY OF UNIVERSITY OF SOUTH CAROLINA STATE CALIFORNIA, AUSTRALIA, AUSTRALIA. UNIVERSITY, USA. USA. Best advice received: You learn more The future: New advances by asking questions than looking for Best advice received: Publishing are constantly happening in answers. a paper on the advances and MS across a number of different The future:We are able to separate limitations of a method is extremely disciplines; for example, mass complex, multicomponent mixtures, important for the scientific community to measurements of intact viruses (up to but analyzing the ever-increasing know what areas require development, hundreds of megadaltons) are amount of data generated remains a and to avoid wasting time and now possible. challenge; the application of machine money reinventing the wheel. Best part of the job: I learning and artificial intelligence Research goal: My group uses enjoy developing new in separation science represents an analytical techniques and instruments and exciting opportunity for us to realize omics to measure molecular methods to measure the the full potential of these techniques. changes in our bodies and previously unmeasurable Nominator comment: “A thought leader answer questions such as how – the resulting joy of in the field, great separation scientist a given toxin induces metabolic discovering something and a role model for women in analytical changes and causes disease. completely new is incredible. scientist. And a good person to boot!” FRANCES LIGLER

LAMPE DISTINGUISHED PROFESSOR OF BIOMEDICAL ENGINEERING, UNC-CHAPEL HILL & NC STATE UNIVERSITY, USA.

Career highlight: Induction into the FABRICE GRITTI National Inventors Hall of Fame in 2017. Eureka moment: This summer, it took PRINCIPAL CONSULTING a 7-year-old at Camp Invention 30 The future:Increased capacity for out- SCIENTIST, WATERS seconds to solve a technical problem that of-lab measurements, and improved CORPORATION, USA. had stymied me for over a decade – that capability regarding long-term, was definitely a “wow” moment. continuous monitoring. Career highlight: Receiving the Joseph Franz Karl Huber Lecture Award at HPLC 2019. The Award is given to scientists who have made major contributions to GARY SIUZDAK the advancement of HPLC, and it was a privilege to be put on a pedestal alongside PROFESSOR & DIRECTOR OF past recipients like Attila Felinger and THE SCRIPPS CENTER FOR Gert Desmet. METABOLOMICS, THE SCRIPPS Exciting recent advance: Witnessing the rise RESEARCH INSTITUTE, USA. of 3D printing technology in analytical laboratories to design more robust and Career highlight: Developing “activity better performing columns or devices for metabolomics” through XCMS/ multidimensional LC. METLIN, thus enabling the discovery of metabolites able to modulate phenotype. Beyond biomarker discovery and gaining GONGKE LI mechanistic insight, this metabolomic capability is now being fully appreciated. PROFESSOR AND DIRECTOR Best part of the job: Free “molecular spirits” OF THE INSTITUTE OF from Endless West – please send more! GÉRARD ANALYTICAL SCIENCES, SUN Nominator comment: “A metabolomics HOPFGARTNER YAT-SEN UNIVERSITY, CHINA. scientist with unique vision and numerous recent accomplishments, including the PROFESSOR OF ANALYTICAL The future: We are developing in situ, growth of METLIN to over half-a- SCIENCES AND MASS in vivo and online sample preparation million molecular standards!” SPECTROMETRY, UNIVERSITY techniques that are showing promise and OF GENEVA, SWITZERLAND. may simplify studies of trace composition in complex systems (such as chemicals Research goal: Provide MS tools and altering human mood) in the future. solutions for identifying and quantifying Exciting recent advance: A molecules in complex samples to better breakthrough in complex sample understand biological systems. preparation for trace analysis of toxic Best part of the job:b: TheThe components,componen which was awarded broadness of the field;ld; an an TheThe Natu Natural Science Award by the analytical scientist nneedseeds MinistryMinistry of Education. to have keen theoreticaletical NominatorNominat comment: “One of the understanding, the creativityativity leadingleading womenw in analytical science to forge futurefutur advances,nces, in ChChina.i She has an excellent and the applicationapplicat skillsills pupublication record and is to gainain insight into increasingly visible on the real-worldreal world samplessamples. international stage.” 28  Feature

GOVERT SOMSEN

PROFESSOR OF BIOMOLECULARA R ANALYSIS AND ANALYTICAL CHEMISTRY, VRIJE UNIVERSITYTY AMSTERDAM, NETHERLANDS.

Career highlight: I started my careerer in an era of booming bottom-up HUWEI LIU proteomics, but our first peaks were questionable and people PROFESSOR, PEKING thought we were crazy. Now, after UNIVERSITY, CHINA. persistent development, we can assign hundreds of proteoforms Career highlight: Teaching my of a single protein in just one run! students, and also developing Best advice received: When going new technologies and methods for my first job interview my in chromatography and MS father said “don’t oversell, just be for applications ranging from yourself.” He was right, because explosive detection to food the people that matter are those analysis and diagnosis. good at recognizing important Best advice received: Be a qualities without you having to good person first and a good show them off. scientist second.

GUOWANG JANE HILL XU ASSOCIATE PROFESSOR OF PROFESSOR OF ENGINEERING, DARTMOUTH APPLIED COLLEGE, USA. CHEMISTRY, CHINESE Research goal: To discover, validate and ACADEMY OF translate into the clinic breath biomarkers SCIENCES, CHINA. for infectious disease diagnosis. The future:Larger clinical validation Research goal: To address studies, and miniaturized analytical the technical challenges associated systems for bedside use. with MS-based metabolomics, such as Best part of the job: Forging a comprehensive coverage, throughput and new group in the area of volatile unambiguous structural determination for metabolomics, and working with unknown metabolites. numerous wonderful trainees. Exciting recent advance: We developed leading platforms for complicated sample analysis with significantly increased peak capacity and identification ability; a kit we developed based on LC-MS analysis Nominator comment: to measure serum glycocholate is now “If I were a student today, approved for use in Chinese clinics. I’d be enrolling in her lab!” JARED ANDERSON

PROFESSOR, IOWA STATE UNIVERSITY, USA.

Career highlight: Seeing the students we train go on to build their own scientific careers – no JENNIFER BRODBELT matter what stage they leave us at, it’s always exciting to watch them move forwards. ROLAND PETTIT CENTENNIAL Best part of the job: We are able to solve challenging CHAIR PROFESSOR problems with great societal implications. These IN CHEMISTRY AND challenges are rarely solved by working alone, CHAIRPERSON, UNIVERSITY which creates an engaging, supportive and OF TEXAS, USA. collaborative environment. Nominator comment: “A leading Best advice received: Your graduate mind in sample preparation and students are your most important chromatography. His work on resource; cultivate a group culture that novel applications using ionic encourages innovation and collaboration, liquids, especially in the and your research program will flourish. bioanalytical realm, will Research goal: To develop new lead a paradigm shift in MS strategies for characterizing purifying and preserving biological molecules. We accomplish biological samples.” this by developing and utilizing photodissociation as an innovative method to activate and dissociate ions and yield informative fragmentations.

JEAN-FRANÇOIS MASSON

PROFESSOR, UNIVERSITY OF MONTREAL, FRANCE.

Career highlight: The support of my family is a definite highlight. They travelled over 4,000 kilometers to attend my PhD defense, and my 4-year-old son attends whatever SERVING ROYALTY. EXCEEDING EXPECTATIONS. EVERY MOMENT. seminars of mine he can. Eureka moment: I was an elite ice hockey player while growing up in Canada, and had a eureka moment in realizing the similarities between chemistry and hockey. In chemistry, however, you get better with age, rather than worse, and are more likely to make a living off your passion!

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www.sciencix.com 800.682.6480 [email protected] JIM LUONG

FELLOW, ANALYTICAL SCIENCES, CORE R&D,THE DOW CHEMICAL COMPANY.

The future: In chromatography, I anticipate advances in multi-hyphenation techniques, and improvements in selectivity and inertness of stationary phases, ultra-trace detection with JUSTIN GOODING selective detectors, metal 3D printing and miniaturization. CO-DIRECTOR OF THE Best part of the job: The role of an analytical AUSTRALIAN CENTRE OF scientist has many exciting facets, from NANOMEDICINE & CO detective work on practical solutions to DIRECTOR OF THE NEW SOUTH instrument design and development – WALES SMART SENSING the options are limitless. NETWORK, UNIVERSITY OF NEW SOUTH WALES, AUSTRALIA.

The future: Chemical and biological sensing is heading in three directions simultaneously: conceptually, we are beginning to develop quantitative sensors; from an engineering perspective, we are increasingly able to integrate sensors with further technologies; and economically, we are moving towards cheaper sensors, like paper. Research goal: To develop new measurement technologies that allow us to answer previously unanswerable questions.

JOSEPH WANG

DISTINGUISHED PROFESSOR, UNIVERSITY OF CALIFORNIA, JOSEPH LOO USA. to attempt to “break” the PROFESSOR, UNIVERSITY OF large protein molecules to Career highlight: Mentoring CALIFORNIA LOS-ANGELES, sequence the fragments. After numerous talented students and USA. realizing I could generate gas- postdocs, who have gone onto become phase protein fragments and interpret the leading scientists across the globe. Eureka moment: My eureka moment fragments against expected sequences, I saw Best advice received: Keep searching for came at the beginning of my career. I was that this could be further developed. Today the best, don’t give up, and have fun! trained to “break” molecules for analysis, we call this top-down MS, or proteomics… The future: On-body, non-invasive, real- so when developing ESI-MS for protein Little did I know I’d still be working on the time diagnostics will replace analysis at characterization it seemed natural to me same topic nearly 30 years later. centralized labs. Feature  31

KIM PRATHER KELLY ZHANG DISTINGUISHED PROFESSOR & DISTINGUISHED CHAIR IN PRINCIPAL SCIENTIST, SMALL ATMOSPHERIC CHEMISTRY, MOLECULE ANALYTICAL SCRIPPS INSTITUTION OF CHEMISTRY, GENENTECH, USA. OCEANOGRAPHY, USA. Research: Working with cross- Research: Developing and conducting disciplinary teams to move novel measurements for aerosol chemistry – therapies from research into the clinic. aerosols occur in our environment in Nominator comment: “Kelly is a member many forms and have profound effects of the permanent scientific committee on the climate and health, but are for HPLC and is an acting organizer for Nominator comment: relatively poorly studied. HPLC 2020 in San Diego.” “Faulds is an outstanding, internationally recognized scientist, and a role model for women in science.” KEVIN SCHUG

KAREN FAULDS PROFESSOR & SHIMADZUD ZU DISTINGUISHED PROFESSORE SSOR PROFESSOR, HEAD OF OF ANALYTICAL BIONANOTECHNOLOGY AND CHEMISTRY, UNIVERSITYITY ANALYTICAL CHEMISTRY, OF TEXAS, USA. UNIVERSITY OF STRATHCLYDE, UK. Best part of the job: You’re alalwaysways on a learning curve becauseecause The future: Raman spectroscopy and of the ubiquitous needed forfor SERS are transitioning into use as measurements, and there areare bothboth biomedical tools to study diseases fundamental and applications-cations- and pathogens – in future, they will based questions to answer.er. be used for diagnosis and treatment Exciting recent advance:ance: II’m’m monitoring. very excited about our success iinn Research goal: To improve peoples’ lives developing methods forr the online or the environment. My ambition is comprehensive 2D-LCLC of intacintactt to develop approaches that will allow proteins. If we can eventuallyntually attacattackk early disease detection, facilitating mixtures of intact proteinsins in the wwayay faster and more specific medical we approach small molecules,ules, tthishis willwill interventions that improve outcomes enable the development of assays and reduce cost. useful in many areas. 32  Feature

LANE ALLEN BAKER LINGJUN LI

PROFESSOR OF CHEMISTRY, DISTINGUISHED PROFESSOR INDIANA UNIVERSITY, USA. OF PHARMACEUTICAL SCIENCES AND CHEMISTRY, Best advice received: If the big thing you’re UNIVERSITY OF WISCONSIN- worried about right now won’t matter in MADISON, USA. five years, then it probably isn’t that big of a thing. Career highlight: Discovering novel The future:Electrochemical measurements, neuropeptides from hypothalamic especially electrochemical imaging, will extracts and subsequently benefit from quicker, more sensitive and deciphering their functions. Also, truly nanoscale measurements, opening the receiving the prestigious Biemann door to the creation of imaging platforms Medal from the American Society that allow us to “visualize” chemistry, for Mass Spectrometry. biology and material science in new ways. Exciting recent advance: We’ve made continued progress in developing novel chemical tags for high- throughput omic analyses; we LJILJANA PAŠA-TOLIC have begun studying glycosylation patterns during the progression LABORATORY FELLOW & of Alzheimer’s disease using such DEPUTY FOR TECHNOLOGY, approaches. ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY, PACIFIC NORTHWEST NATIONALO NAL LABORATORY, USA.

Best advice received: Success is likinlikingg yourself, what you do, and how youou ddoo it. Best part of the job: I love being part ooff this great community, and advancingvancing technologies needed to answer questionsuestions central to biology, health, the planetnet and people. It’s great fun.

LIVIA EBERLIN Research goal: ASSISTANT PROFESSOR, I’m passionate UNIVERSITY OF about research TEXAS AT AUSTIN, USA. surrounding the interface between The future:Ambient ionization MS chemistry and has come a long way in recent years, medicine – my especially for clinical applications. I group is focused on expect that these methods will move developing innovative closer to doctors and patients, eventually MS technologies to solve leading to routine use to accelerate clinical problems, such as cancer diagnosis and clinical decision making. diagnosis. LUIGI MONDELLO

FULL PROFESSOR OF ANALYTICAL CHEMISTRY, UNIVERSITY OF MESSINA, ITALY.

Career highlight: Landmark developments in comprehensive chromatography revolutionized the community over a decade ago; my highlight is having being a central contributor to improving the power and accessibility of these technologies. The future:I foresee the wider acceptance of multidimensional and comprehensive chromatography as these methods become more robust and reliable, and the benefits of their hyphenation with MS will be better exploited. Nominator comment: “His rigorous and innovative methods will inspire TAILOR YOUR SYSTEM TO YOUR the next generation of scientists in both academia and industry.” VOC & SVOC ANALYSIS – run canisters, on-line and sorbent tubes on the same unit MARK MEYERHOFF

PHILIP J ELVING PROFESSOR OF CHEMISTRY, INCREASE SAMPLE SECURITY THE UNIVERSITY OF MICHIGAN, USA. through automated splitting and re-collection Best advice received: “Don’t major in minor things” – I read this in a paperback at thee start of my academic career, and now give a copycopy of the book to undergraduates in mymy lab. REDUCE RUNNING COSTS by Research goal: Finding new chemistriesistries avoiding the use of liquid nitrogen to devise highly selective electrochemicalemical and optical sensors and sensing systems.stems. We are also investigating novel,vel, LOWER DETECTION LIMIT with low-cost approaches too produce nitric oxide forr backflush trapping and sample medical applications stacking without the need for gas tanks. Find out more chem.markes.com/Recent 34  Feature

MICHAEL MELISSA HANNA-BROWN BREADMORE

GLOBAL EXTERNAL TECHNOLOGY PROFESSOR & DIRECTOR OF & COLLABORATIONS LEAD, THE AUSTRALIAN CENTRE PFIZER PHARMACEUTICAL FOR RESEARCH ON SCIENCES & CAMS EXECUTIVE SEPARATION SCIENCE, CHAIR, UK. UNIVERSITY OF TASMANIA, AUSTRALIA. Recent exciting advance: Standing up as the executive chair to launch CAMS (the Career highlight: The commercial release Community for Analytical Measurement of GreyScan – the world’s first inorganic Science) together with UK government explosive trace detection officials and industry leaders across different system – in late 2018.2018. sectors; CAMS is an industry-led consortia Best advice received:received: network focused on bringing coherence to manufacturing. In particular, my role Do somethingng hard our community in the UK and Ireland. at Pfizer involves coordinating with and important.ant. If it Research goal: I work in the pharmaceutical the external ecosystem to accelerate works, it’s brilliant;lliant; iiff iitt industry, where measurements enable development lifecycles and get new doesn’t, you stillill get a medicine discovery, development and treatments to patients faster. good paper. Best part of the jjob:ob: Waking up everyry day faced with MICHAEL questions to LÄMMERHOFER which there is no answer yet. PROFESSOR OF PHARMACEUTICAL (BIO-) ANALYSIS, INSTITUTE OF PHARMACEUTICAL SCIENCES, NANCY ALLBRITTON UNIVERSITY OF TÜBINGEN, GERMANY. KENAN DISTINGUISHED MICHAEL ROPER PROFESSOR & CHAIR OF Career highlight: Achieving UNC/NC STATE JOINT professorship at my institute; a full PROFESSOR, FLORIDA STATE DEPARTMENT OF BIOMEDICAL professorship is the ultimate goal of an UNIVERSITY, USA. ENGINEERING, UNIVERSITY OF academic career, bringing with it lots NORTH CAROLINA, USA. of duties and responsibilities, but also Career highlight: Watching my students the freedom to follow your own ideas. excel by obtaining exciting results, Research: Leading a multidisciplinary Best part of the job: It graduating and getting great jobs. team of chemists, physicist, engineers involves a lot of Best part of the job: Solving problems by and materials scientists to develop new interdisciplinary lending our expertise to scientists across assays and technologies for single-cell science, which multiple fields carries a great feeling with biochemical analysis, cell sorting and gives our work it, and makes me think that our cloning, and recapitulating additional value field will always have a place. organ-level function. and makes the Nominator comment: “Roper’s Nominator comment: “A field extraordinarily work studying cellular key driver of single- interesting and dynamics in microfluidics cell analysis using diverse. systems is an excellent CE-based methods example of how analytical – she has pioneered systems can advance the interface between biological studies.” analytical chemistry and bioengineering.” PAUL CREMER a function of pH; we used the former to J. LLOYD HUCK PROFESSOR build a biosensor platform. IN NATURAL SCIENCES, The future:Vibrational spectroscopy PENNSYLVANIA STATE has been dominated by nonlinear UNIVERSITY, USA. spectroscopies like SFG in recent years, but now Raman and infrared approaches Eureka moment: The many discoveries we have also demonstrated utility. Our ability make through serendipity, such as our to combine such techniques means the observation that ortho-rhodamine and future looks bright – it’s an exciting time para-rhodamine dye behaviours differ as to be a vibrational spectroscopist!

Nominator comment: “The ultimate ambassador for analytical science.”

PHILIPPE SCHMITT- KOPPLIN

PROFESSOR, DIRECTOR OF THE RESEARCH UNIT PERDITA BARRAN ANALYTICAL BIOGEOCHEMISTRY & HEAD DIRECTOR OF THE OF THE COMPREHENSIVE MICHAEL BARBER CENTRE PETER SCHOENMAKERS FOODOMICS PLATFORM, FOR COLLABORATIVE GERMANY. MASS SPECTROMETRY, VAN’T HOFF INSTITUTE MANCHESTER INSTITUTE OF FOR MOLECULAR SCIENCES, Research goal: Describing unknown BIOTECHNOLOGY, UNIVERSITY UNIVERSITY OF AMSTERDAM, yet important small molecules and OF MANCHESTER, UK. NETHERLANDS. their interactions in biotic and abiotic processes using orthogonal Career highlight: I have two: building Best advice received: If your results confirm analytical tools. ion mobility mass spectrometers with your expectations, it is comforting; if they Eureka moment: Realizing the lack enormous capabilities for structural are not what you expect, it is interesting. of metabolic and small molecule analysis, and diagnosing Parkinson’s Eureka moment: For chromatographers, diversity among complex living Disease from simple skin swabs. thinking “outside the box” implies systems when compared with abiotic Exciting recent advance: In our group, thinking “outside the column.” chemosynthetic environments, such I’d have to say our work in Parkinson’s Best part of the job: We work to provide as in outer space or extreme terrestrial diagnosis. But in the world of biological accurate, factual and repeatable environments (hydrothermal systems, MS, probably the increased relevance information – we leave it to the other for example). It makes our species of lipids as disease biomarkers. scientists to speculate. seem small in the universe.

www.theanalyticalscientist.com 36  Feature

PURNENDU DASGUPTA

PROFESSOR & HAMISH SMALL CHAIR IN ION ANALYSIS, ROHIT BHARGAVA UNIVERSITY OF TEXAS RICHARD YOST ARLINGTON, USA. FOUNDER PROFESSOR PROFESSOR & HEAD OF OF ENGINEERING AND BestBest aadviced received: ANALYTICAL CHEMISTRY, CHEMISTRY & DIRECTOR ReadRead thet very old, and UNIVERSITY OF FLORIDA, USA. OF THE CANCER CENTER, thethe veryver new. UNIVERSITY OF ILLINOIS, USA. ResearchResea goal: To The future: When I started at the produceproduc simple and University of Florida some 40 years ago, The future:It’s an exciting time affordableafforda solutions MS was not a widely accepted technique. for optical chemical imaging via to practicalprac analysis Organic chemists used it to confirm they infrared and Raman vibrational problems.problems had synthesized the correct compound, spectroscopies. An abundance of TheThe ffuture:We will natural product chemists used it to find new ideas, theoretical advances, seese a transition novel compounds in a given organism, and instrument configurations and ffrom small to physicists and physical chemists used it for applications mean that the field is smaller. fundamentals. Today, MS may well be the poised for unprecedented growth. dominant technique in our field, and there’s Research goal: To develop better no indication it’s slowing down! chemical imaging technology from first principles-based theoretical analyses. Nominator comment: “A pioneer of ROY GOODACRE infrared spectroscopic imaging. He has RON HEEREN provided numerous seminal studies, and PROFESSOR OF continues to set the standard to this day.” DISTINGUISHED BIOLOGICAL PROFESSOR OF CHEMISTRY, MOLECULAR UNIVERSITY OF IMAGING, LIVERPOOL, UK. RUEDI AEBERSOLD UNIVERSITY OF MAASTRICHT, Career highlight: This summer PROFESSOR OF MOLECULAR NETHERLANDS. I woke up on the sand of a river SYSTEMS BIOLOGY, ETH bank in northern Australia and was ZURICH & FACULTY OF Exciting recent advance: Breakthroughs transported by helicopter to an inland SCIENCE, UNIVERSITY OF in imaging resolution and throughput escarpment, where we used a portable ZURICH, SWITZERLAND. with technologies that have point-and-shoot Raman spectroscopy improved our sensitivity by orders of device to investigate the chemistry of Career highlight: Witnessing and magnitude – data-dependent imaging, pigments used in aboriginal rock art – contributing to the amazing MALDI-2 and spatial resolution pretty cool and exciting stuff! technological development of MS- are great examples. Best advice received: I was once based proteomics, from the inception Research goal: To generate told “early to bed, early of the field to present. and use complex molecular to rise, work hard and Exciting recent advance:e: TTwowo information from tissue advertise” with regards developments stand out:t: the samples to improve the to conferences. Today rapid advance and uptakeake precision of clinical I’ve adapted this to “late of SWATH/DIA MMSS decision making at the to bed, early to rise, work as a central technologygy fundamental, instrumental hard and advertise” and I for proteomic analysis ofof and applied levels. think it’s worked rather well. large sample cohorts, aandnd the development of complex-mplex- centric proteome analysis.sis. RYAN BAILEY

ROBERT A. GREGG PROFESSOR OF CHEMISTRY, UNIVERSITY OF MICHIGAN, USA.

The future: Smaller, faster, and cheaper! It’s great to see microscale analytical tools penetrating mainstream clinical diagnostics, and as smaller technologies provide increasing amounts of information, analytical scientists will have to work closely with bioinformaticians to transform high-density data sets into actionable disease signatures. Research goal: To create microscale analytical technologies to extract high levels of information from limited biological samples.

SARAH TRIMPIN ionization methods in MS. PROFESSOR, WAYNE STATE Nominator comment: “She has taken a brave SUSAN UNIVERSITY, USA. approach to studying the fundamentals of RICHARDSON newly discovered methods for molecule Research: Developing fundamental transfer, regardless of size or volatility, from ARTHUR SEASE WILLIAMS understanding of newly discovered the solid state in a small molecule matrix to PROFESSOR OF CHEMISTRY, methods that raise questions for gas-phase ions for MS analysis.” UNIVERSITY OF SOUTH CAROLINA, USA.

Career highlight: The opportunity SUSAN LUNTE to collaborate with incredible toxicologists and epidemiologists RALPH N. ADAMS PROFESSOR in my research; as a chemist, I can OF CHEMISTRY AND only go so far in solving the health PHARMACEUTICAL CHEMISTRY, issues surrounding drinking water DIRECTOR OF THE RN ADAMS disinfection byproducts. INSTITUTE FOR BIOANALYTICAL Exciting recent advance: Finally CHEMISTRY & DIRECTOR OF “cracking the code” in identifying THE CENTER OF MOLECULAR Adams was an incredible scientist and new brominated sulfonate ANALYSIS OF DISEASE PATHWAYS, human being, and it’s a great honor to have a disinfection byproducts formed by UNIVERSITY OF KANSAS, USA. professorship and run an institute in his name. the reaction of hydraulic fracturing Best part of the job: Analytical chemists are wastewaters with chlorine. Career highlight: Becoming Ralph N. Adams collaborators by nature so there are always Professor of Bioanalytical Chemistry; Buzz exciting new measurement problems to solve.

CAMAG® HPTLC PRO Fully automated sample analysis and evaluation system for routine quality control

Explore the next dimension of High-Performance Thin-Layer Chromatography at camag.com 38  Feature TAKEHIKO KITAMORI

PROFESSOR, UNIVERSITY OF TOKYO, JAPAN.

XIAOHONG FANG Career highlight: Becoming Dean of the School of Engineering in 2010, PROFESSOR, CHINESE and Vice President in 2012. ACADEMY OF SCIENCES, CHINA. Eureka moment: I saw that a chromatic aberration on an old Research: Development and application of microscope enabled the true thermal bioanalytical and biophysical technologies lens optical configuration; a small to analyze biomolecular interactions and channel fabricated onto a glass slide reactions at the single-molecule level. during creation of the thermal lens Nominator comment: “Xiahong Fang is an microscope then turned out to be outstanding scientist, and valued editor of the world’s first pressure-driven Analytical Chemistry.” microfluidic device.

YOSHINOBU BABA

PROFESSOR, NAGOYA UNIVERSITY, JAPAN. ZOLTAN TAKATS

Research: Development and application of bioanalytical and biophysical technologies to PROFESSOR, IMPERIAL analyze biomolecular interactions and reactions at the single-molecule level. COLLEGE LONDON, UK. Nominator comment: “Baba is a pioneer in microfluidics.” Research: Takats is a pioneer in the field of ambient MS and led the development of several mass YYINGIN GE spectrometric ionization techniques.

PPROFESSOR,R UNIVERSITY OF WWISCONSIN-MADISON, USA.

ResearchR goal: To develop innovative tetechnologies to understand cardiac disease,dis identify new molecular targets forfor diagnosis, and ultimately provide novelnove treatments for heart failure. EurekaEurek moment: I conceived the idea to developdevelop a photo-cleavable surfactant for top- down proteomicspro in 2011; a talented postdoc (Tania(Tania Guardado)Gu and a brilliant graduate studentstudent (Kyle(Kyl Brown) subsequently synthesized a phphoto-cleavableoto-c anionic surfactant for thisthis aapplication. NominatorN comment: “Ge is conducting cutting-edge research that is making waves in the fields of Nominator comment: MS, separations, proteomics “His work in DESI and and (eventually) personalized imaging is of the utmost medicine.” importance.” 20 GARY HIEFTJE

DISTINGUISHED PROFESSOR EMERITUS AND MANN CHAIR 19 OF CHEMISTRY, INDIANA UNIVERSITY, USA.

Career highlight: Producing 70 doctorates, 25 MS recipients, 29 postdocs and 29 undergraduate researchers. Unlike scientific developments, which often have a finite duration, the mentoring of students and co- workers is bound to have a lasting influence. The future:Novel instrumentation will continue to make an impact as we move forward. In the words of Sir Humphry Davy: “Nothing begets good science like SUSAN OLESIK the development of a new instrument.” Exciting recent development: We Nominator comment: “A world leader in PROFESSOR, OHIO STATE discovered a way to improve the atomic and molecular MS, instrument UNIVERSITY, USA. detection limits for K-Ras proteins, development, and teaching.” which act as biomarkers for various Career highlight: We used a GC column human cancers. that was a part of the Cassini-Huygens Nominator comment: “She is an 18 probe to sample the atmosphere of innovator, discreetly forging her own PAUL BOHN Titan, Saturn’s biggest moon. path in separation science.”

ARTHUR J. SCHMITT PROFESSOR OF CHEMISTRY AND BIOMOLECULAR ENGINEERING, MILTON LEE PROFESSOR OF CHEMISTRY AND BIOCHEMISTRY, & DIRECTOR EMERITUS PROFESSOR OF OF THE ADVANCED DIAGNOSTICS ANALYTICAL CHEMISTRY, AND THERAPEUTICS INITIATIVE, BRIGHAM YOUNG UNIVERSITY UNIVERSITY OF NOTRE DAME, USA. & CHIEF SCIENCE OFFICER, AXCEND LLC, USA. ResearchResearch goal:goal: To develop measurementmeasuremen tools and Research goal: My research has moved strategiesstrategies to characterize towards small, portable chromatographic and contcontrolr single instrumentation, most recently producing chemicchemicalal reaction a hand-portable micro/nanoflow capillary 17 events in theth condensed liquid chromatograph. phase;phase; we do this by Best advice received: When I started developingdeveloping approaches at Brigham Young University some thatthat integrate nanoscience,n 40 years ago, I was advised to look for electrical engineering, physics, and so on. electrochemistryelectroc opportunities for collaboration. Taking Nominator comment: “Milton has made anda nd optical this advice, I’ve had the pleasure to work consistent contributions to separation spectroscopy.s with colleagues in environmental biology, science in many fields, and is a pioneer developmental biology, microbiology, in the development of new technologies plant science, chemical, mechanical and and instruments.”

www.theanalyticalscientist.com 40  Feature 13 16 MARY WIRTH

W. BROOKS FORTUNE DISTINGUISHED PROFESSOR, PURDUE UNIVERSITY, USA.

Research: Focusing on the interface between chemistry and medicine, Wirth VICKI WYSOCKI aims to create technology for the earlier detection of disease through simple lab PROFESSOR AND OHIO tests prior to the onset of symptoms. EMINENT SCHOLAR AT THE DEPARTMENT OF CHEMISTRY AND BIOCHEMISTRY & DIRECTOR OF THE CAMPUS GEORGE WHITESIDES CHEMICAL INSTRUMENT CENTER, OHIO STATE WOODFORD L. AND ANN UNIVERSITY, USA. A. FLOWERS UNIVERSITY PROFESSOR, HARVARD Research goal: To develop better UNIVERSITY, USA. ways of measuring large protein and nucleoprotein complexes by MS. Research: Whitesides’ research covers a wide Best advice received: A few years before range of topics from organic chemistry John Fenn won the Nobel Prize, he told to materials science, microfluidics, self- me to “never look back, never second assembly and nanotechnology. The goal: guess.” This happened as I moved from to develop diagnostic tools that are of low one position to another, but any time cost and simple to use. I started to doubt I’d made the right choice I thought of his advice and kept moving forward. Nominator comment: “Vicki has a huge Nominator comment: impact in fundamental analytics and “George deserves a place on fragmentation technologies; UVPD 15 the list for his contributions and SID were pioneered by her and to microfluidics and low-cost her group.” assay development.” 12 NEIL KELLEHER NORMAN DOVICHI MS and recently PROFESSOR, NORTHWESTERN GRACE-RUPLEY PROFESSOR OF prepared CE to UNIVERSITY, USA. CHEMISTRY AND BIOCHEMISTRY, investigate the UNIVERSITY OF NOTRE DAME, USA. microbiome – Research: Kelleher’s group has an innovative three primary focuses: top-down Nominator comment: “Dovichi was an early and enabling proteomics, natural products adopter of CE in the 1980s, developing technology. biosynthesis and discovery, and the sheath-flow cuvette for LIF coupled What’s more, he’s 14 chromatin biology. These interests have to CE for single-molecule detection and mentored hundreds led to success in driving technological pioneering CE-LIF sequencing methods of postdocs during his development and the application of for DNA in the early 1990s. He then career, many of whom are now professors MS to problems lying at the interface of developed a robust interface for CE- across the world.” biology and chemistry. 9

10

DAVID CLEMMER

DISTINGUISHED PROFESSOR & ROBERT AND MARJORIE MANN CHAIR OF CHEMISTRY, INDIANA UNIVERSITY, USA. JANUS PAWLISZYN

Best advice received: Not advice I’ve received PROFESSOR, DEPARTMENT OF per se, but I do like the statement “Measure CHEMISTRY, UNIVERSITY OF what is measurable. Make measurable what WATERLOO, CANADA. is not.” – Galileo Galilei. Exciting recent advance: Charge detection Career highlight: I’ve focused on developing MS, particularly as carried out by the labs of green technologies in analytical chemistry, Martin Jarrold, Evan Williams and Philippe such as approaches for sample preparation Dugourd, has come a long way; the technique that facilitate the solvent-free integration measures the ionic charge number, and mass/ of sampling with extraction. charge, making it possible to measure the Best advice received: “Do not follow the 11 mass of very large particles for the first time. beaten track – explore your own ideas.”

JOEL HARRIS DANIEL ARMSTRONG

DISTINGUISHED PROFESSOR R. A. WELCH DISTINGUISHED OF CHEMISTRY, UNIVERSITY PROFESSOR, UNIVERSITY OF OF UTAH, USA. TEXAS AT ARLINGTON, USA.

Career highlight: Conducting Exciting recent advance: Developing quantitative chemical analysis at the first GC-MRR instrument, the limit of imaging and counting and showing that it can have individual fluorescently-labelled improved selectively than HRMS molecules; we have used this method and/or NMR. to observe the affiliation of signalling Best part of the job: Seeing the results proteins with lipid membranes and of your research being used by others the kinetics of DNA hybridization. to solve important problems. Exciting recent advance: In the past Nominator comment: “Armstrong year, my colleague Eric Peterson has continues to improve pharmaceutical adapted single-molecule imaging to and environmental research, and – observe the hybridization reactions ultimately – our own lives. He is an 8 of unlabelled DNA – our venture amazing mentor who has guided into “dark matter” reaction kinetics. hundreds of scientists.”

www.theanalyticalscientist.com GERT DESMET

FULL PROFESSOR & DEPARTMENT HEAD, VRIJE UNIVERSITEIT BRUSSEL, BELGIUM.

Career highlight: On the scientific side, my work on shear- driven chromatography and development of the kinetic plot method; on the professional side, my appointment as Associate Editor to Analytical Chemistry and receipt of an ERC Advanced Grant. 7 Best advice received: My PhD supervisor and then department head told me to “stay away from university politics as best you can and focus fully on the research. If you’re research is successful, you’ll get things achieved without having to lobby for them anyway.” Nominator comment: “When I have a separation question, I do what everybody does… I ask Gert Desmet!”

6 4

JOHN YATES JAMES JORGENSON ERNEST W. HAHN PROFESSOR, PROFESSOR, UNIVERSITY OF 5 THE SCRIPPS RESEARCH NORTH CAROLINA, USA. INSTITUTE, USA.

Career highlight: The development of Exciting recent advance: We are making CE, with our first publications appearing great progress towards developing in 1981. RICHARD SMITH methods for 3Dproteomics and the Eureka moment: When we realized that, in application of these methods to studies the case of CE, the faster we can migrate BATTELLE FELLOW & CHIEF of Alzheimer’s disease and cancer. sample components, the better resolved SCIENTIST, PACIFIC NORTHWEST Eureka moment: We were working they will be – seldom can we do something NATIONAL LABORATORY, USA. on an integrated LC/LC method both faster and with a better outcome! 25 years ago that combined strong Nominator comment: “A continual Research: The development and application cation exchange and reversed phase innovator in separation science, with of advanced methods, instrumentations particles in the same column. There major contributions to nano-LC and and informatics capabilities to biological was an “oh wow” moment when we UHPLC. His focus on fundamentals research, particularly proteomics and flowed the 80 percent acetonitrile has pushed forward the Human Genome metabolomics. buffer across and column and Project, forensic DNA analysis and LC- Nominator comment: “Smith has led the way observed that peptides were retained MS proteomics.” in many important MS developments.” on the SCX phase. GRAHAM COOKS expansion from analysis to chemical HENRY BOHN HASS synthesis and materials preparation. DISTINGUISHED PROFESSOR, Research goal: Exploration of the “four PURDUE UNIVERSITY, corners” of MS: instrumentation, USA. fundamental ion chemistry, societally relevant Career highlight: applications and connecting Working with with undergraduates. graduate students Eureka moment: The and postdocs, 50 of development of a system whom have gone on that screens 6,000 to faculty positions. 2 reactions an hour. 3 Best advice received: “If Best part of the job: The you worry about tenure, freedom to wander across the you don’t deserve it.” landscape of science and still be at The future:MS is in the early stages of home in analytical chemistry. ROBERT KENNEDY

HOBART WILLARD DISTINGUISHED PROFESSOR OF CHEMISTRY, UNIVERSITY OF MICHIGAN, USA. 1 Career highlight: When my student Lan Huang was first able to measure insulin secretion from single cells using a microelectrode it was incredibly exciting. I had tried to do the same experiment myself, but Lan did it much better than me – through Nominator comment: this I learned the power of excellent “Jonathan Sweedler has students. A close second highlight moved the field of analytical happened around the same time, chemistry toward smaller when Nikki Schultz demonstrated scales with numerous single the first immunoassay by CE – this cell characterization efforts.” kickstarted a long string of papers on affinity interactions by CE. Best advice received: This advice was JONATHAN SWEEDLER not given to me personally, but in animals ranging from comb jellies to slugs Ralph Adams used to keep a quote JAMES R. EISZNER FAMILY to humans. I’m excited about our recent efforts by P. Handler in his lab that I will ENDOWED CHAIR IN CHEMISTRY, to probe neurotransmitters, metabolites and paraphrase: “Each scientist owes it to DIRECTOR OF THE SCHOOL lipids in tens of thousands of brain cells, his or herself and society to address the OF CHEMICAL SCIENCES & providing us with an unprecedented view largest question for which the tools are PROFESSOR OF NEUROSCIENCE, of cell-to-cell heterogeneity. ready and they are the right person.” PHYSIOLOGY, MEDICINE Career highlight: I really enjoy working with Best part of the job: My favorite thing AND BIOENGINEERING AT talented undergraduate students, graduate about being an analytical scientist is THE BECKMANN INSTITUTE, students and research scientists, and watching that it is necessary in so many fields, and UNIVERSITY OF ILLINOIS, USA. them grow into outstanding scientists. so it’s possible to contribute to multiple Best part of the job: The short answer: it’s fun! areas of science. Research goal: I have two overarching goals. We help advance our understanding of health, Nominator comment: “A recent Martin The first is to create and improve a range work towards curing diseases, and improve Medal winner, Robert Kennedy is a of technologies for probing brain chemistry, our knowledge of the environment. Being continued leader in chemical separations and the second is to use this technology to an expert in measurement science opens up and analytical neuroscience.” understand memory, thought and behaviour doors to a broad range of research careers.

www.theanalyticalscientist.com 44  Solutions

Solutions

Real analytical problems Collaborative expertise METLIN Novel applications at 500K Tandem MS identification as the 21st century standard for small molecule and metabolite identification

By Gary Siuzdak

The Problem As metabolomics took off in the early 2000s, it became increasingly clear that GC-MS data was hampered by its 1950s-era electron ionization – using a single designated ionization energy with the need for derivatization – and a focus on molecules that are stable enough to survive the GC oven. An alternative was needed – one that could harness the emerging power of MS/MS techniques.

Background For decades, GC-MS was the dominant metabolite and small molecule identification Figure 1. METLIN growth to multi-level data on over 500,000 molecular standards since its origins in the technology, despite its drawbacks. This early 2000s. dominance was primarily due to the impressive size of its chemical libraries; for series of three papers (1-3) documenting In August 2019, it reached the milestone example, NIST’s library of GC-MS mass breakthroughs using METLIN (a cloud- of 500,000 standards (see Figure 1), spectra, which contained information for based and freely available ESI tandem MS encompassing vast metabolic and over 270,000 individual compounds. library) found themselves challenging the chemical diversity (see Figure 2). There The 2002 Nobel prizes celebrated dominance of GC-MS. are experimental data for each molecule developments in the now ubiquitous in both positive and negative ionization electrospray ionization (ESI). ESI allows The Solution modes, each generated at four different for the observation of a broader range METLIN had humble beginnings back collision energies. Originally designed of molecules due to its non-destructive in 2002 – tens of molecules were slowly to facilitate the field of metabolomics, nature. Yet, though these newer ESI acquired if and when standards became METLIN has now leapfrogged into the tandem MS approaches were adopted available. As you can imagine, the tandem broader field of small molecule chemical quickly in metabolomics and proteomics, MS data was accumulated at a glacial pace. analysis, including organic chemistry, they were not universally adopted in Skip forward to February 2019: METLIN pharmaceuticals, toxicology, exposure studies of metabolites and chemical bypassed the NIST GC-MS database research, and drugs of abuse. entities because no comprehensive tandem mark with tandem MS fragmentation The feat was made possible by a group MS databases existed. That is, until a data for 300,000 molecular standards. of highly talented Scripps Research staff Solutions  45

with innovative ideas and the drive to precursor ionization or suffering isolation for unknown identification through H. see them through. H. Paul Benton and window contamination, among other Paul Benton’s original similarity searching Aries Aisporna combined their efforts to problems. To reach 500,000, we’ve had to (4, 5), METLIN represents an overdue address the critical informatic challenges, analyze over 600,000 molecular standards transition to the 21st century that – when which included transferring the (at the time of writing), with over 100,000 complementing GC-MS – is allowing standards’ physical information to the MS molecules not passing our automated and small molecule identification to become instrumentation, as well as automating the manual vetting. significantly more comprehensive. identity (and data) transfer to METLIN, Central to the integrity of any library and – most importantly – automated is the use of standards. As we know all Beyond the solution data curation. Elizabeth Billings, Emily too well, the wrong identification can METLIN’s growth will have far- Chen and Winnie Heim designed a send our collaborators off on a “wild reaching implications, firstly by preparation approach that maximizes goose chase” for months – if not years. increasing the ease and reliability of sample transfer and ESI tandem MS And though the size of the library molecular identification exercises, but data acquisition. Winnie has also played is important, the dominant factor in also by providing researchers with a key role in the collection of retention moving ESI tandem MS identification countless further opportunities to time and tandem MS data, and manually forward is access to standards (just as in exploit the housed data. It is worth curating compound data that did not pass GC-MS data). METLIN is projected to noting that METLIN is 30 times bigger the automated curation step – not a trivial grow its tandem MS database to over a than alternative standards databases and endeavor at this scale. million validated molecular standards in is a refined resource that has been widely With a success rate of approximately 80 2020, allowing the community to finally used for over a decade. It’s certainly percent, the platform is robust – but it is move out of the 1950s. Given the obvious come a long way since 2002… But we far from perfect, with around 20 percent benefits of metabolite and chemical aren’t finished yet! A number of further of molecules not providing sufficient entity identification, and the possibility developments are planned, including:

www.theanalyticalscientist.com 46  Solutions

Figure 2. The chemical diversity represented within METLIN based on functional groups.

• the development of similarity searching Gary Siuzdak is Professor & Director analchem.8b03126 for unknown identification (1, 4), of The Scripps Center for Metabolomics, 4. HP Benton et al., “XCMS2: processing tandem • use of METLIN’s retention time The Scripps Research Institute, mass spectrometry data for metabolite data to facilitate machine learning California, USA. identification and structural characterization”, predictive algorithms, Anal Chem, 80, 6382 (2008). DOI: 10.1021/ • introduction of hydrophobicity References ac800795f filtering from retention time data to 1. C Guijas et al., “METLIN: a technology 5. X Domingo-Almenara et al., “Annotation: a improve molecular identification, platform for identifying knowns and computational solution for streamlining • molecular structure determination unknowns”, Anal Chem, 90, 3156 (2018). metabolomics analysis”, 90, 480 (2018). DOI: from MS/MS data by machine DOI: 10.1021/acs.analchem.7b04424 10.1021/acs.analchem.7b03929 learning approaches, 2. MM Rinschen et al., “Identification of 6. X Domingo-Almenara et al., “XCMS-MRM • automated generation of multiple bioactive metabolites using activity metabolo- and METLIN-MRM: a cloud library and reaction monitoring parameters for mics”, Nat Rev Mol Cell Bol, 20, 353 (2019). public resource for targeted analysis of small quantitative analysis (6), DOI: 10.1038/s41580-019-0108-40108-4 molecules”, Nat Methods, 15, 681 (2018). • endogenous and exogenous activity 3. X Domingo-Almenara et al., “Autonomous“A DOI: 10.1038/s41592-018-0110-3 annotations (5), METLIN-guided in-sourcen-sou fragment 7.7. T Huan et al., “Systems biology guided by • and MS/MS-based pathway annotation for untargetedarge metabolomics”, Anal XCMSX online metabolomics”, Nat Methods, mapping (7). Chem, 91, 3246 (2019).201 DOI: 10.1021/acs. 14.1 461 (2017). DOI: 10.1038/nmeth.4260 Application Note  47

Quantitative Analysis of Copolymers using a Pyroprobe

Quantitative analysis of poly(styrene-isoprene) copolymers including RSDs and a calibration curve using a CDS Model 6150 Pyroprobe

By Karen Sam Figure 1. Poly(styrene-isoprene) copolymer pyrogram with 14 percent (top), 17 percent (middle), and 22 percent (bottom) styrene. Peak 1: Isoprene monomer, Peak 2: Styrene monomer, Peak 3: Isoprene Analytical pyrolysis is a powerful tool dimer, Peak 4: Styrene trimer for the qualitative analysis of polymers. The analysis usually starts from a simple Styrene: Isoprene Dimer pyrogram match to an existing pyrolysis Area Ratio database to identify the polymer chemical Rep 1 0.85 structure. If multiple polymers are identified, Rep 2 0.86 a quantitative method is often adopted by comparing peak areas of the pyrolysis Rep 3 0.87 products to determine each polymer ratio. Rep 4 0.87 In this application, styrene-isoprene block Rep 5 0.86 copolymers, which are large-volume, low- Rep 6 0.84 cost, commercial thermoplastic elastomers, Rep 7 0.87 are analyzed by following this approach. RSD 1.13%

Experimental Parameters Table 1. 7 runs of styrene monomer to isoprene Figure 2. Styrene monomer to isoprene dimer Block copolymer standards styrene- dimer ratios of 17% styrene-isoprene copolymer ratio vs styrene weight percent in copolymer isoprene at 14, 17 and 22 percent (styrene to copolymer weight ratio) were obtained from Carrier: Helium 1.25mL/min, 75:1 split Considering the signal to noise ratio and Sigma Aldrich. Solutions of each copolymer Oven: 40°C for 2 minutes the simplicity of algorithm, the highest standard were prepared in tetrahydrofuran 10°C/min to 300°C peaks from styrene monomer (Peak 2) to 1 mg/mL. A 5μL aliquot of each weight Ion Source: 230°C and isoprene dimer (Peak 3) were chosen percent copolymer solution was added to a Mass Range: 35-600amu for quantitative analysis. Area ratios of Drop-In-Sample Chamber (DISC) tube, these two peaks were plotted against the then pyrolyzed to a setpoint of 600°C using Results and Discussion weight percent of styrene in each of the a CDS 6150 Pyroprobe. Figure 1 shows pyrograms of poly(styrene- standards in Figure 2, which shows a isoprene) copolymers containing 14, 17, linear calibration with an R2>0.99. The Pyoprobe and 22 weight percent styrene.. When reproducibility study was also carried out Setpoint: 600°C 30 seconds pyrolyzed, polystyrene is principally broken from seven sample runs on the 17 percent DISC Interface: 300°C down to monomer (Peak 2 in Figure 1) and styrene standard. An RSD of 1.13 percent Transfer Line: 300°C trimer (Peak 4 in Figure 1). As the styrene is obtained in Table 1. Valve Oven: 300°C weight increases in the copolymer, so does The linearity and RSDs demonstrate the area of the peaks from polystyrene that the latest version of the Pyroprobe GC-MS (Peaks 2 and 4) in relation to the peaks from CDS is adept at the quantitative Column: 5 percent phenyl (30m x 0.25mm) from polyisoprene (Peaks 1 and 3). analysis of copolymers.

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Sitting Down With… Carol Robinson, Professor of Chemistry, University of Oxford, Oxford, UK Sitting Down With  51

How did your career in science begin? themselves. Right now, I’m focusing on I could give my younger self any advice, I’ve always loved chemistry, but never studying the complexity of a number of it would be to have more confidence: thought about going to university as a natural targets in the gas phase: lenses, you’re capable of much more than child because nobody in my family had mitochondria and plasma membranes, you realize. done it before. I eventually got a job to name a few. At first, nobody expected as a technician and worked in several gas-phase protein analysis to work, so What would you say is your laboratories, which only nurtured each new nugget of information we greatest achievement? my interest further. At Pfizer, I was obtain feels validating, and I’m confident I’ve received many awards over the years, encouraged to take part in day release that we will continue to surprise ourselves but (not to embarrass my children) I studies, through which I eventually in this area in the future as the technology always say that being a mother is my earned my chemistry degree and found continues to expand. These days, the greatest achievement. myself wanting to conduct further possibilities are more or less limited only research. This soon led me into my by your imagination. What’s most enjoyable about being PhD in the use of MS – a technique a scientist? that I’ve always had a fascination with Definitely observing something for the – for peptide sequencing at Cambridge first time – there is nothing that can University. The process of fitting spectra prepare you for that excitement. But, to structures to solve problems excites “These days, the as I get older, I also love to see how me – it’s like a giant jigsaw puzzle. I the careers of my students take off; it’s focused on peptides because proteins possibilities are great to hear from them, catch up on were of huge interest at the time, what they’re doing now, and hear that especially neuropeptides and their roles more or less limited I helped them to achieve what it is they in nerve signaling. wanted from their careers. The best only by your thing about science is that there is always You took a significant career break a new breakthrough on the horizon – after your PhD… imagination.” and the excitement that follows when it I did – and it was considered a very eventually rears its head. unusual thing to do. Many people doubted that I would return to research Can you tell us of a recent because it would be so difficult, but I was You were the first female Chemistry breakthrough that gave you determined to try. When I did return, it Professor at Oxford and Cambridge that feeling? was no straightforward task – I applied – did these achievements feel like We published a paper in Science last for various posts and eventually had to milestones to you? year that documented the study of take a more junior position in which I They did – and I felt a lot of pressure biological molecules directly from had next-to-no input into the research because I thought maybe other women membranes. The study used vesicles taking place. As the research advanced, might not follow in my footsteps formed from intact membranes; these however, I developed many of my own if I didn’t succeed. I felt a huge vesicles expelled complexes that had ideas and came to a point where I knew responsibility to show that women never been seen before, so we were able that I really wanted to investigate can flourish in this field, and I would to analyze these for the first time in protein folding and interactions. say that I have achieved that. Today, terms of their interactions within the the ratio of male to female professors native membrane. It was incredible How has your work developed is more even, and it’s great to see so because we always thought that it since then? many women on the programs for key would be far too complicated to achieve It’s come on leaps and bounds – I’ve been conferences and so on, but – of course and interpret, but now we’re able to researching molecular states through ion – there is still some way to go. To any conduct many studies in this way. I’m mobility MS, and I’ve particularly enjoyed women considering entering this field, sure many more such breakthroughs the challenge of getting membrane I say go for it! It’s a fantastic career will come with the arrival of our new proteins to “fly” in different ways in with endless opportunities, and a little mass spectrometer, which we helped to detergent, nanodiscs and the membranes confidence can go a long way. In fact, if develop – watch this space!

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