Side projects and small impacts can make large waves. Dr Claire McMullin, Computational Teaching Fellow and Director of Year 1 Studies at the University of Bath, shared insights from her career journey.

What is your job?

I’m a computational chemist, with a focus on inorganic reaction systems and explaining observed experimental trends. I work at the University of Bath, but my job role is a little trickier to answer.

Four days a week, I’m employed as a Teaching Lecturer and the Year 1 Director of Studies. On the fifth day I’m a postdoctoral research assistant (PDRA), overseeing the computational aspects of an Engineering and Physical Sciences Research grant.

Tell us about your career path.

I completed my undergraduate and PhD studies at the University of Bristol – under the supervision of Guy Orpen and Natalie Fey – using crystallography and computational chemistry to investigate organometallic complexes.

I wanted to do a post-doc in the US, so I wrote to a few American computational chemists to see if they had funding or a role available. Luckily one did, and I moved to Denton (University of North Texas) to work with Tom Cundari.

I missed the UK, and so returned a year later to Edinburgh for a three-year post-doc with Stuart Macgregor at Heriot-Watt University in collaboration with Dai Davies at the University of Leicester.

Then I joined Bath, initially as a full-time Teaching Fellow for Computational Chemistry. I was lucky there were computing facilities that had a ‘free queue’ to submit calculations, and I was approached by a new colleague, who asked me if I’d be interested in modelling their reaction systems. I had gained a new side-project and hobby for my evenings.

Eventually, more people asked for me to look at their systems, mostly as the department didn’t have anyone with my specific inorganic and organometallic mechanism skills.

Now, over six years later, I’ve almost finished a three-year grant, published 36 papers, developed connections and external collaborators, and secured more funding to run calculations on our ‘premium’ queue. The only downside is that my research is rarely recognised by the university, as it’s not officially part of the role description of my employment.

Pictured above: Dr Claire McMullin

What is a typical day like in your job?

I tend to get to my office after 8am, and deal with any overnight emails first, before checking our High Throughput Cluster for how my calculations are doing. Teaching begins from 9:15am, and my day tends to be full of meetings (online nowadays), lectures and labs.

Something will always come up that I wasn’t expecting, be it teaching or research related. I always have a page-long to-do list. Normally, I manage to achieve two to three things a day, but almost always end up adding more things to it!

>> Get involved in the SCI Young Chemists’ Panel.

Which aspects of your job do you enjoy most?

I really enjoy the collaborative nature of my work – be it lecturing or teaching a lab to students, seeing a student having that ‘a-ha’ moment, or talking to my colleagues in the department about plans or issues we are trying to resolve.

Similarly, with the research I do, I am often trying to explain someone’s experimental data. I like trying to provide answers or reasons for the chemistry that has occurred. It’s almost like trying to understand a puzzle, and seeing a calculation finished always sparks joy in me!

What is the most challenging part of your job?

The emails, and the tasks and requests they bring, can sometimes derail my entire day (or week).

How do you use the skills you obtained during your degree in your job?

I feel incredibly lucky that, on any given day, I can submit a calculation and use the computational skills I developed during my degree. But I use much more than computational knowledge – doing a degree teaches you to be organised and methodical, as well as how to juggle several tasks at once.

The demonstrations I did as a PhD student are now used daily in labs. The research talks I gave have given me the confidence to stand up in front of a room full of students and lecture them on a range of topics. And the papers and thesis I wrote have given me a keen eye for detail and editing other people’s documents.

>> Read how Ofgem’s Dr Chris Unsworth creates an inclusive working environment and transfers his PhD skills.

Is there any advice you would give to others interested in pursuing a similar career path?

There are so many points where the ‘leaky pipeline’ could have meant I left chemistry and academia. In all honesty, I’m not quite sure how or why I’m still here! [A lot of it is about] luck, being in the right place at the right time, or a job vacancy coming up when you need a new position.

Timing really is key. It’s half-worked out for me. I’m now permanent in my teaching role and still get to run my calculations, which I love; but that often comes at a cost to my own time and is done more as a hobby than something I’m paid to do. It doesn’t work out for everyone, and that is no reflection on their skills or abilities.

I’ve always had back-up plans or ideas if I decided to exit the academic highway. So, if you do want to pursue a career similar to mine, make sure you have something else to fall back on. And just keep working hard, slowly building on the work you want to do. Small impacts can end up making large waves.

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Eye-catching infographics, punchy messaging, and clear language are just three ways to grab people’s attention. Laura West, Senior Scientific Excellence Coordinator of R&D Biopharm Discovery at GSK, explains how to make your scientific research more visually attractive.

When it comes to displaying your scientific work, the experiments and data could be your best, but getting the visibility your work deserves and engaging your target audience require careful thought. It is, therefore, vital to be to think about how you communicate, not just what you communicate.

Every day, we are inundated with information. It’s more important now than ever to grab the attention of your audience, while improving the way you communicate. This helps people retain information about the data and key messages you deliver.

Ask yourself: what is the key message I want people to take away from this piece of work? You can then start to build around that.

When it comes to the overall layout of your work, you need to think about visual hierarchy, which is the arrangement of the elements on the page. This tells readers what to focus on depending on its importance.

It’s also worth thinking about how people best consume their media. Infographics, data visualisation graphs, images, and short videos are all great ways to attract and hold people’s attention.

Here are five ways to boost engagement in your work today.

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1. Start with a bold, catchy message

Image from Naja Bertolt Jensen, Data: Plastic Pollution - Our World in Data. Graphic from Laura West

A clear, simple message that is big, bright, bold and catchy will grab people’s attention. Take a look at the infographic below. Notice how your eyes are immediately drawn to ‘Plastic Pollution’, which is short, punchy, and immediately noticeable.

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2. Pick relevant images

 

65% of people recall information for up to three days when it is paired with a relevant image. So, pick relatable images to make your work more memorable.

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3. Keep it simple

Covid 19 Infographic Datapack from Information is Beautiful.

Aim to keep your sentences short and use simplified language. This approach will make your work more accessible and easier to understand, and it will help your audience retain information.

Second, if you have a large amount of data, consider how to display it so that people can immediately follow what you’re showing them.

Take a look at the ‘Coronavirus Riskiest Activities’ infographic below. You can immediately see that ‘nightclub’ is the riskiest activity from the huge amount of information on the page. Note the use of negative space (or empty space) on the page to intensify the size of each bubble.

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4. Use colour and contrast

This infographic from Statista uses a simple colour scale to clearly demonstrate the data. 

Colour choice matters. Our eyes pick up the contrast between certain colours and using this to your advantage will help accentuate the importance of certain items on the page. Think about the contrast between the colours you are displaying to make the text or imagery striking. This helps readers associate patterns or trends quickly.

In the image above, for example, it is easy to identify the teal colours against the white background and grey world map and immediately identify the countries.

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5. Think about how people read

Readers use a 'Z' pattern to visually skim content.

Studies show that when we ingest digital information, we first scan the page in a ‘Z’ or ‘F’ pattern to determine whether it is worth reading.

If the information is predominantly text heavy, we read by scanning the left side of the page as this contains left aligned headings and bullet points. When reading information that is not in text-heavy paragraphs, we tend to read in the more ‘Z’ aligned format (left to right and top to bottom).

When thinking about the type of work you are displaying, consider where you want your most important information on the page.

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Reading outside his research area and efficient chemistry helped 2022 Perkin Medal winner Dennis Liotta develop groundbreaking drugs.

There has been an explosion of statistics in football, but one of the most influential figures in this revolution, Ramm Mylvaganam, didn’t care for the game. He worked for the confectionary company Mars. He sold chairs. He knew nothing about football.

However, this key figure outlined in Rory Smith’s recent book, Expected Goals: The story of how data conquered football, came into the field of football analysis and changed the game forever – partly because he approached the game with the fresh perspective of the outsider.

So, what do football statistics have to do with a chemist who came up with life-saving medications? Well, Dr Dennis Liotta, who came up with AIDS antivirals that have saved thousands of lives, may not have entered medicinal chemistry as a complete outsider. He was a chemist, after all. However, like Ramm Mylvaganam, his broad breadth of knowledge from different areas gave him a unique perspective on a new field.

Reading at random

Dr Liotta didn’t take the standard path into medicinal chemistry. In fact, he wasn't a diligent chemistry student at first – and that, in an odd way, contributed to his later success.

For the first couple of years at university, he was more interested in his extracurricular activities; but in his third year, he realised he needed to catch up. He worked hard and burnt the midnight oil. He also did something unusual.

‘I did something that’s kind of ridiculous-sounding,’ he said. ‘I had this big fat organic chemistry book, and I would just open it up randomly to some page and read 10 or 12 pages and close it back up. Over time, I ended up covering not only the things I missed, but actually learning about a lot of things that wouldn't have been covered.’

As his career progressed, Dr Liotta realised the importance of not just working harder, but working smarter. On Sundays, he would sit down with a bunch of academic journals to stay abreast of developments. However, as he read them, he discovered other papers – ones outside his research area – that piqued his interest.

Dennis Liotta in one of his lab spaces at Emory. Image by Marcusrpolo.

‘I’d see something intriguing. And so I’d say, that’s interesting, let me read. I started learning about things that I didn’t technically need to know about, because they were outside of my immediate interest. But those things really changed my life. And, ultimately, I think they were the differentiating factor.’

The intellectual stretch

This intellectual curiosity led to more than 100 patents, including a groundbreaking drug in the fight against AIDS that is still used today and a hand in developing an important hepatitis C drug.

‘In science, many times the people who actually make the most significant innovations are the people who come at a problem that’s outside of their field,’ Dr Liotta said. ‘Without realising it, we all get programmed in terms of how we think about problems, what we accept as fact.’

‘But when you come at a problem that’s outside your field… you aren't immersed in it. So, you think about the problems differently. And many times, in thinking about the problems differently, you’ll come up with an alternative solution that people in the field wouldn’t.’

We’ve often heard the stories of Steve Jobs wandering into random classes while at university when he should have been attending his actual course. Apparently, a calligraphy class inspired the font later used in Apple’s products. In other words, early specialism can sometimes hinder creativity.

‘I've looked into people who have made really some amazing contributions, and many times there’s been an intellectual stretch,’ Dr Liotta said. ‘They’ve gone out there and done something that they weren’t really trained to do. You can fall on your face from time to time, but it’s really nice when we're able to make contributions in areas where we don’t really have any formal training.’

Chance favours…

Of course, there’s so much more to creating life-saving drugs than intellectual curiosity and a different way of thinking. Dr Liotta and his colleagues had the technical skill to turn their ideas into something real. He was a skilled chemist who teamed up with an excellent virologist, Raymond Schinazi. The result of this blend of their skills gave them an edge over others developing AIDS therapeutics.

Dr Liotta invented breakthrough HIV drug Emtricitabine.

‘The very first thing we did was we figured out a spectacular way of preparing the compounds – very clean, very efficient,’ he said. ‘And that [meant we could] explore all sorts of different permutations around the series of compounds that others couldn’t easily do, because their methods were so bad for making [them].

‘So, even though we were competing against some very important pharmaceutical companies that had infinitely more money than we had – dozens of really smart people they put on the project – we were able to run circles around them because we had a really efficient methodology and that enabled us to make some compounds.’

The amazing thing is that the very first compound and the third compound the pair came up with led to FDA-approved drugs. It is a fine thing, indeed, when skill and serendipity meet.

‘Chance favours the prepared mind,’ Dr Liotta said, ‘or, as my colleagues say: you work hard to put yourself in a position to get lucky.’

>> Learn more about Dr Liotta’s career path and research from our recent Q&A.

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In his winning essay in SCI Scotland’s Postgraduate Researcher competition, Alexander Triccas, postgraduate chemistry researcher at the University of Edinburgh, explains how the tiny shells produced by marine algae protect our natural environment.

Each year, SCI’s Scotland Regional Group runs the Scotland Postgraduate Researcher Competition to celebrate the work of research students working in scientific research in Scottish universities.

This year, four students produced outstanding essays. In the fourth of this year’s winning essays, Alexander Triccas explained how coccoliths provide a valuable carbon store and could play a key role in keeping our bones healthy.

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Why tiny shells produced by marine algae are important for both global carbon stores and repairing bones

Although humans can engineer complex and eye-catching structures that help us navigate through our daily lives, they are nowhere close to the design and functionality of natural materials.

These mineral structures are specifically grown to provide support, protection, or food for many organisms. Humans would not exist without them. Indeed, our bones and teeth are made of calcium phosphate. But when grown in a lab, calcium phosphate forms as simple rectangular crystals, which is vastly different to how our bones and teeth look.

This is because our bodies use organic molecules to precisely control how minerals grow, producing materials that can fulfil very specific tasks. Biominerals can even be produced inside single cells. Coral reefs are held together by calcium carbonate minerals made by marine invertebrates. Elsewhere in the ocean, carbonate shells produced by small algae cells are buried on the ocean floor, over time forming the chalk rocks that make up coastal landmarks such as the White Cliffs of Dover.

Advances in microscopy are shedding new light on the composition of coccoliths.

This process is incredibly important to the environment. It takes carbon dissolved in seawater, turns it into solid material, then stores it at the bottom of the ocean. It is concerning then that we don’t know how ocean acidification and rising CO2 levels will affect coccoliths, the name given to these carbonate shells.

>> SCI’s Scotland Group connects scientists working in industry and academia throughout Scotland. Join today!

We’re still unsure how coccoliths are produced, particularly how organic molecules are used to give them their unique shape. Proteins and sugars decide where and when the first carbonate mineral forms; then the growth of the coccolith is controlled by sugar molecules.

But how exactly do these organic molecules control the mineral that is produced? We struggle to answer this question because we don’t know how the composition of the coccolith changes as the structure grows.

Composition of the coccolith

Our research focuses on imaging coccoliths in an attempt to observe these changes. We used a technique called X-ray ptychography to map coccolith composition over the course of its formation. This revealed that coccoliths are not entirely made of calcium carbonate, instead having a hybrid structure containing mineral and organic molecules. But this isn’t all.

We revealed that the composition of the coccolith changes during its growth. We think this could represent a transition from a disordered liquid-like state to an ordered crystalline state. While this is common in other biomineral-produced organisms like corals, no evidence of this transition has been reported in coccolith formation before.

>> Read Rebecca Stevens’ winning essay on PROTAC synthesis.

This is incredibly important because it tells us how the cell is controlling the first calcium carbonate mineral that forms. The transition enables the cell to control exactly how it wants the mineral to form, meaning coccoliths can be made faster.

It might also lessen the impact that more acidic seawater has on mineral formation. This could mean coccoliths will not be affected by ocean acidification as much as expected, which is good for the planet’s long-term carbon stores.

However, this is only a prediction. Improvements to the microscopes used to analyse coccoliths will help us know if the transition occurs. Electron and X-ray microscopes are extremely useful in industry – from drug research and medical imaging, to data storage and materials analysis – but their use in these fields is still relatively novel.

Coccolith analysis could give us a better idea of how bones are produced.

Most advancements in instrumental procedures are done in academic research. Our work, therefore, helps us understand the benefits and limits microscopes may have, making them more suitable for industrial use.

Bone research also relies heavily on these microscopes. Our findings could be important in understanding how bones are produced, benefiting not only pharmaceutical and medical industries, but also improving human healthcare by providing better treatments to patients.

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In the latest of our Careers for Chemistry Postdocs series, Dr Chris Unsworth, Head of Stakeholder Engagement and Hydrogen at Ofgem, talks about rising to the net zero challenge, creating a productive, inclusive working environment, and transferable PhD skills.

Tell us about your career path to date.

Currently, I’m the Head of Stakeholder Engagement and Hydrogen at Ofgem. Prior to that, I was Private Secretary to the Co-Directors of the Energy Systems Management and Security (ESMS) Directorate at the energy regulator Ofgem. I’ve also worked as Senior Manager in the GB Wholesale Markets team and as a Research & Insight Manager within Ofgem’s Consumer and Behavioural Insights team.

Pictured above: Dr Chris Unsworth

What is a typical day like for you at Ofgem?

I’d say there isn’t a typical day in my job, especially given recent events. Our work needed to shift dramatically to make sure gas and electricity kept flowing at the start of the pandemic and during the sharp increase in wholesale prices for gas.

I wore many hats in my role as Private Secretary. I often acted in a Chief of Staff role for the directorate, getting a sense of the mood within our part of the organisation and advising on how to overcome internal issues as they arise. I also often acted as advisor to the Co-Directors of ESMS as they explored which tools can be used to deliver net zero.

Which aspects of your job do you enjoy the most?

I enjoy being able to work on the net zero challenge in a really meaningful way. I also enjoy being surrounded by colleagues who feel the purpose and weight of responsibility in making progress towards a net zero future. It keeps you accountable, but it’s also really inspiring.

What is the most challenging part of your job?

The reasons I gave above for really enjoying my job can also be described as the most challenging! Delivering a net zero future represents the largest transformation that has ever needed to happen at an industrial level.

Also, because folks are so passionate about their work, it’s really important to make spaces where staff can be transparent and open on their views of the way forward. It’s more important, however, for me to act in a diplomatic manner to make sure we get aligned on a clear and singular route to solving problems.

>> Get involved in the SCI Young Chemists’ Panel.

How do you use the skills you obtained during your degree in your job?

I don’t use the skills I practised in the lab directly in my role. However, there are lots of transferable skills that I picked up from my MChem and PhD in Chemistry. Being able to interrogate evidence and critically assess it is really important in knowing which trends are valid and, therefore, which policy options are the best to investigate further.

Being able to bring data and information from lots of disparate sources and use them to create a clear view of what’s going on is another skill that I practise often. I also do a lot of thinking around systems and flows and the various interactions that go on underneath the surface. Visualising systems and interactions is definitely a helpful skill that I first practised in my degrees.

>> How do you go from a Chemistry degree to a business development specialism? Mark Dodsworth told us his story.

Which other skills are required in the work you do?

My current role is very people oriented and so I need to practise a high level of emotional intelligence. I came out as a gay man while doing my degrees at the University of York and I had specific role models there who helped me explore who I was.

I think my experiences during my degrees really helped grow my capacity for empathy and understanding in others. I’ve been afforded the opportunity to work on a huge number of Diversity & Inclusion initiatives as a result of being open and out at work. I’m also very lucky to work in a space where I feel comfortable to do so.

Pictured above: Dr Chris Unsworth

Is there any advice you would give to others interested in pursuing a similar career path?

If you feel a sense of purpose in something you’re doing, then go in that direction. You will always enjoy your work if you understand why you are doing that work.

This may involve you taking a few left turns as you move between different things, but there’s no need to worry about that so much if there’s a clear and consistent theme and purpose that ties it all together.

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In her winning essay in SCI Scotland’s Postgraduate Researcher competition, Rebecca Stevens, Industrial PhD student with GSK and the University of Strathclyde, talks about the potential of PROTACS.

Each year, SCI’s Scotland Regional Group runs the Scotland Postgraduate Researcher Competition to celebrate the work of research students working in scientific research in Scottish universities.

This year, four students produced outstanding essays in which they describe their research projects and the need for them. In the third of this year’s winning essays, Rebecca Stevens discusses her work in developing a multistep synthetic platform for Proteolysis Targeting Chimeras (PROTAC) synthesis and the potential of PROTACS in general.

Pictured above: Rebecca Stevens

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A ‘PROTAC-tical’ synthetic approach to new pharmaceutical modalities

PROTACs are a rapidly evolving new drug modality that is currently sparking great excitement within the pharmaceutical and biotechnology industries.

Despite the first PROTAC only being reported in 2001, 12 of these potential drugs have already entered phase I/II clinical trials. In fact, a handful of new biotechnology companies have launched in the last two decades with a primary focus on these molecules. So, what’s so special about them?

Traditional drug discovery relies on optimising small-molecules to inhibit the action of a protein target and subsequently elicit a downstream effect on cellular function. However, many proteins are not tractable to this approach due to their lack of defined binding sites. This is where PROTACs offer a unique opportunity to target traditionally ‘undruggable’ parts of the proteome; instead of inhibiting the protein, PROTACs simply remove it altogether.

PROTACs are heterobifunctional molecules made up of two small-molecule binders attached together via a covalent linker; one end binds to the protein of interest and the other to an E3 ubiquitin ligase.

Rebecca is working on a multistep platform for PROTAC synthesis.

By bringing these two proteins into close proximity, PROTACs exploit the body’s own protein degradation mechanisms to tag and degrade desired proteins of interest in a method known as ‘targeted protein degradation’.

This different mechanism of action offers some revolutionary advantages over small-molecule drugs. Alongside potentially accessing ‘undruggable’ targets, PROTACs can overcome resistance mechanisms from which other drugs suffer, as well as acting in a catalytic manner, ultimately requiring less compound for therapeutic effects and maximising profits.

>> SCI’s Scotland Group connects scientists working in industry and academia throughout Scotland.

Problems with PROTACS

While great in theory, the reality is that with two small-molecule binders and a linker, PROTACs are typically double the size and complexity of normal drugs, so their synthesis is far from simple.

Classic drug discovery programmes often make many bespoke analogues alongside their use of library synthesis, using a design-make test cycle to optimise hits and find a lead molecule. With PROTACs, linear synthetic routes are much longer for bespoke compounds, underlining an even greater need for new PROTAC parallel synthesis platforms.

>> Read Marina Economidou’s winning essay on palladium recovery

Additionally, the design of PROTACs is more challenging as there are three separate parts of the structure to optimise, and small changes can have a large impact on their biological activity. As such, very simple chemistry is used to connect the three parts of the molecule, resulting in limited chemical space for exploration, causing potentially interesting bioactive compounds to be missed.

A platform for PROTAC synthesis

My PhD project seeks to develop a multistep synthetic platform for PROTAC synthesis, using modern chemical transformations such as C(sp2)-C(sp3) cross-couplings and metallaphotoredox chemistry.

Starting from already complex intermediates in the synthetic route, methods for late-stage functionalisation are under development to complete the final synthetic steps. By making elaborate changes at a late stage, a variety of structurally diverse PROTACs can be synthesised from a single building block, offering an economical and sustainable approach to optimisation for the industries involved.

Furthermore, the purification step prior to testing will be eliminated, with crude reaction mixtures taken into cells in an emerging ‘direct-to-biology high-throughput-chemistry’ approach. This removes a key bottleneck associated with hit identification and lead optimisation, delivering biological results in very short turnaround times.

The synthetic methods developed in the project will offer new capabilities for efficient and sustainable synthesis of PROTACs and other related modalities. Increasing the pace of data generation could accelerate the exploration of structure-activity relationships and deployment in large parallel arrays could provide a significant quantity of data to inform new machine learning models.

Ultimately, for industry, this ‘PROTAC-tical’ approach offers a huge opportunity for rapidly progressing PROTAC projects and discovering novel PROTACs with clinical potential.

>> Our Careers for Chemistry Postdocs series explores the different career paths taken by chemistry graduates.

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In her winning essay in SCI Scotland’s Postgraduate Researcher competition, Marina Economidou, first year PhD Student at GSK/The University of Strathclyde, talks about palladium recovery.

Each year, SCI’s Scotland Regional Group runs the Scotland Postgraduate Researcher Competition to celebrate the work of research students working in scientific research in Scottish universities.

This year, four students produced outstanding essays in which they describe their research projects and the need for them. In the second of this year’s winning essays, Marina Economidou explains the need for palladium recovery and making it more efficient.

Pictured above: Marina Economidou

U-Pd-ating the workflows for metal removal in industrial processes

Palladium-catalysed reactions have great utility in the pharmaceutical industry as they offer an easy way to access important functional motifs in molecules through the formation of carbon-carbon or carbon-hetero-atom bonds.

The superior performance of such reactions over classical methodologies is evident in modern drug syntheses, where Buchwald-Hartwig, Negishi or Suzuki cross-coupling reactions are frequently employed.

However, the demand for efficient methods of palladium recovery runs parallel to the increased use of catalysts in synthesis. The interest in metal extraction can be attributed to several reasons.

Cross-coupling steps are usually situated late in the synthetic route, resulting in metal residues in the final product. In addition to possessing intrinsic toxicity, elemental impurities can have an unfavourable impact on downstream chemistry.

Hence, their limit must be below the threshold set by the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH).

The need for palladium recovery

However, the importance of palladium recovery does not only arise from the need to meet regulatory criteria. The volatility of palladium supply as a result of geopolitical instabilities has been a focus of attention this year, with Russia producing up to 30% of the global supply and prices reaching an all-time high of £81,179 per kilogramme.

Therefore, aside from the need to remove metals from the product for regulatory reasons, there is a desire to recover metals from waste streams as effectively as possible due to their finite nature and high costs.

The sustainability benefits of recovery for circular use are an additional incentive for an efficient extraction process, as catalysts can be regenerated when metal is returned to suppliers.

The increasing pressure for greener processes and more ambitious sustainability goals – such as GlaxoSmithKline’s environmental sustainability target of net zero impact on climate by 2030 – also contribute to the need for further refinement of working practices.

>> SCI's Scotland Group connects scientists working in industry and academia throughout Scotland.

Palladium has many uses including in catalytic converters, surgical instruments, and dental fillings.

Improving extraction processes

It is essential to have well-controlled and reproducible processes for pharmaceutical production, as redevelopment requires further laboratory work and additional time and resources.

With several industry reports on the inconsistent removal of palladium following catalytic synthetic steps, there seems to be a knowledge gap as to which factors affect the efficiency of extraction and why there can be significant differences between laboratory and plant conditions.

The focus of my PhD is investigating the speciation of palladium in solution in the presence of pharmaceutically relevant molecules, to offer an insight into the efficiency of metal extraction at the end of processes.

By understanding the oxidation state and coordinative saturation of the palladium species formed in the presence of different ligands, a better relationship could be established between the observed performance of metal extraction processes under inert and non-inert conditions.

With the wide breadth of ligands and extractants that are now commercially available for cross-coupling reactions, my ambition is to generate a workflow for smart condition selection that not only achieves selective metal recovery, but is scalable and can be transferred to plant with consistent performance.

The cost and preciousness of metal catalysts are both factors that prohibit their one-time use in processes. Understanding how palladium can be extracted and recovered in an efficient manner will not only deliver reliable processes that meet the demands of the market in the production of goods, it will also lead to economic and environmental benefits.

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>> Read Angus McLuskie’s winning essay on replacing toxic feedstocks.

>> Our Careers for Chemistry Postdocs series explores the different career paths taken by chemistry graduates.

There is still work to be done to redress racial inequality in chemistry, and across science in general, but relatable role models can have a positive influence on the next generation.

Homophily. Ever heard of it? Me neither, until 30 minutes ago. Homophily basically means that we are more likely to connect with people who are similar to us in some way.

In work terms, homophily could be a relatable role model. So, as an Irish science writer, I admire Flann O’Brien for his ability to decongest complicated subjects with such wit and flair (not so much for hiding whiskey in the toilet during interviews). For a young chemist, a role model could be someone from a similar background who excels in a job she or he would love to have.

But what happens if you just don’t see relatable role models in your chosen field? What if systemic failings make the profession less attractive and harder to trace the path to success?

Unfortunately, systemic failings, the relative lack of homophily, and pervasive inequality were among the findings of Missing Elements – Racial and ethnic inequalities in the chemical sciences, a report released by the Royal Society of Chemistry (RSC) in March.

The report highlighted the barriers facing Black chemists in the UK, and it certainly didn’t hold back. In the Foreword, Dr Helen Pain, RSC’s Chief Executive, said: ‘The data and evidence collected in this report are clear: we are failing to retain and nurture talented Black chemists at every stage of their career path after undergraduate studies.’

The report found that just 1.4% of postgraduate students, 1% of non-academic chemistry staff, and 0% of chemistry professors are Black. It added that Black chemists face barriers in industry too, and that people from minoritised communities are under-represented at senior levels across the workforce.

It proceeded to mention six themes that affect the retention and progression for Black chemists, including the impact of homophily, which it defined as ‘the tendency for people to form connections with people similar to themselves.’

The importance of mentors

When I read that, a little bell chimed in my head. When my colleague Muriel Cozier interviewed three eminent Black chemists last year – Cláudio Lourenço, Jeraime Griffith, and Dr George Okafo – each mentioned the need for relatable role models to increase the representation of Black chemists.

When she asked Cláudio about specific impediments that prevent young Black people from pursuing chemistry, he said: ‘I think one of the biggest barriers that prevent people from pursuing careers in science is the lack of role models. If we only show advertisements for chemistry degrees with White people, it’s not encouraging for Black students to pursue a career there.

‘The same goes for when we visit universities; role models are needed. No one wants to be the only Black person in the department. Universities need to embrace diversity at all levels.’

George made a similar point. He emphasised the need for young chemists to surround themselves with mentors. ‘I think it is important to look for role models from the same background to help inspire you.’ When Muriel asked him which steps could be taken to increase the number of Black people pursuing chemistry as a career, he added: ‘Have more role models from different backgrounds. This sends a very powerful message to young people studying science reinforcing the message… I can do that!’

When asked about his message for Black people following in his footsteps, Jeraime said: ‘Seek out mentors, regardless of race, who can help you get there. Don’t be afraid to email them and briefly talk about your interest in the work they’ve done, what you have done, and are doing now.’

Jeraime also cited lack of representation as a barrier that prevents more young Black people from entering chemistry. ‘Lack of representation I think is the number one barrier,’ he said. ‘Impostor syndrome is bad at the best of times, but worse still if there’s no representation in the ivory tower.’

The issue of inequality in chemistry is large – far too large for a mere 752-word blog – but as we celebrate the achievements of Black chemists everywhere this week, it is clear just how much of a positive influence role models such as Cláudio, George, Jeraime, and countless others can have on the dreams and aspirations of young chemists.

>> Here are Cláudio’s, Jeraime’s, and George’s stories.

Written by Eoin Redahan and based on previous reporting by Muriel Cozier.

How do you go from a Chemistry degree to a business development specialism? We hear Mark Dodsworth’s story.

Tell us about your career path to date.

I graduated from the University of Sheffield with a degree in Chemistry, which included a one-year placement at GSK in Stevenage. Working in heterocyclic chemistry at GSK gave me valuable experience, which ultimately helped me secure my first role in industry.

I joined Vernalis Research in Cambridge as a Synthetic Chemist. After more than five years there, I moved to Manchester to work with the CRUK Drug Discovery team as a Medicinal Chemist.

I am now coming up to three years working for Teledyne ISCO – a US company that specialises in the supply of purification equipment to the scientific community. My job role is Business Development Specialist for the Midlands and Wales.

This job involves focusing on the business growth of Teledyne ISCO products throughout the region with new and existing customers. I also provide ongoing support to our growing customer base, whether that be technical or application related.

What is a typical day like in your job?

Day-to-day, my job role varies significantly, which makes it exciting and dynamic. No day or week is ever the same. It could involve anything from responding to customer enquiries by phone or email, discussions around how our equipment can help with the needs of a group or company, or travelling to a customer to run a demonstration of the equipment.

Installation and training new users is a part of the job that I particularly enjoy. We also do exhibitions, which is a great way to show new customers our equipment, and network with existing customers. Some exhibitions also give us the chance to present to an audience.

Which aspects of your job do you enjoy the most?

A job in business development is so much more than I realised. I’ve always really enjoyed helping people, and this job allows me to do that in so many ways, whether it’s providing equipment that makes the chemist’s life easier and helps them with a problem that they’ve been struggling with, or through application support. I love the networking, getting to know people, and hearing about their work too.

>> How do you forge a career in third-level teaching? See how Dr David Pugh goes about it?

Mark Dodsworth

What is the most challenging part of your job?

Currently the biggest challenge is being at home quite a lot. We can do a lot of support through Zoom, but I’ve missed not seeing our customers and having face-to-face interactions with them.

As part of a sales role, there is a degree of cold-calling required. This is a skill that I didn’t have as a chemist and so I did find it challenging. Ultimately, you are just looking to find those who are interested in your product. A ‘no, thank you’ isn’t anything to be afraid of – you just haven’t found the right customer for you.

How do you use the skills you obtained during your degree in your job?

There are many translational skills that you develop as a chemist and times when these skills come in handy. Presentation skills come in useful when presenting at conferences or to senior management.

Communication skills are important when you are transferring information. Not everyone interprets information the same way, so being clear with the meaning of your words is also important.

Time management and organisation are key to this role too. For example, making customer appointments and allowing time for travel. You also need to make the most of your own time, too, by being organised – for example, seeing multiple customers in one location.

As a result, my calendar is usually planned a month in advance, so organisation skills really help here in the planning of your work.

Is there any advice you would give to others interested in pursuing a similar career path?

This was not a career path I’d ever considered, as I’d always been focused on synthetic chemistry throughout university. The main motivator for me was having the opportunity to work closer with CombiFlash systems, as I’d used these systems throughout my career at GSK, Vernalis and CRUK.

My advice would be to discuss [the roles you are interested in] with as many people currently working in that field as you can. I spent time discussing this kind of role with my friends and networking within the science community before deciding to make the move.

>> Get involved in the SCI Young Chemists’ Panel.

>> Read more about how Rachel Ellis began her career in drug development.

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Paulina Quintanilla has developed a clever way to maximise the froth flotation technology used to extract more valuable minerals from rocks. The SCI Scholar and Poster Competition winner chatted to us about her process and how it could make mineral processing more efficient.

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How would you describe your froth flotation technology in simple terms?

Froth flotation is the most widely used technology to separate valuable mineral particles from waste rock. The process is carried out in stirred tanks in which chemical reagents and air are added. Some of these reagents, called collectors, make the valuable mineral particles hydrophobic, which means that they repel water.

Consequently, the valuable mineral particles attach to the air bubbles, covering them and generating bubble-particle aggregates. The bubble-particle aggregates rise to the top of the tank, forming a froth that overflows as a mineral-rich concentrate, while the waste rock leaves from the bottom of the tank as tailings.

Froth flotation is also relevant in several other industrial applications, such as water treatment and paper de-inking.

Schematic of the froth flotation process. Image by @AMPRG_Imperial.

How would you describe your froth flotation technology in simple terms?

This research focuses on optimising the froth flotation process using a control strategy called model predictive control. To this end, mathematical models were developed to represent the phenomena inside a flotation tank. These models are then used to ‘predict the future’ so that decisions can be taken now (we can control the process) to improve the froth flotation performance.

Model predictive control is a powerful optimisation strategy that has been widely used in other processes, including in the petrochemical industry, but it is still very new in the mineral processing industry.

One of the main advantages of this research is that the models are physics-based. This means that they were developed from the fundamental physics of the process rather than from data, which makes them useful under any operating conditions, for any flotation tank size. This is particularly interesting for application in the large flotation tanks used on an industrial scale.

How could this work benefit industry and make processing more efficient?

Building clean technologies for the transition to 100% green energy is creating a massive demand for a range of minerals. For example, copper mines would have to ramp up production considerably to satisfy the extra 7% predicted demand. Meeting that demand, however, is becoming more and more challenging as ores are becoming lower grade, deeper, and more complex.

This implies that there is an urgent need to optimise current processes to extract the necessary minerals and metals more sustainably and efficiently. As froth flotation is a large-scale process, even small improvements in the separation efficiency would translate into important increments in production.

Overflowing froth seen from the top of an industrial-scale tank. Image by @AMPRG_Imperial.

What is the potential of this work in terms of copper recovery?

We demonstrated that improvements of between 8 to 22% in metal recovery were achieved by implementing a model predictive control strategy at the laboratory scale, revealing an untapped potential for implementation at an industrial scale. This research could serve as a promising next step for the mining industry to meet future metal and mineral demands by extracting more metal for the same amount of resources, such as water, energy, and chemicals.

>> Interested to find out more about SCI Scholarships?

Your flotation tanks are actually based in Chile. How do you operate them remotely?

I am currently implementing an online model predictive control strategy in a laboratory-scale flotation bank in Chile. I monitor and control this experimental rig from home, in the UK.

The experimental rig was automated in such a way that all the instruments (e.g. air flow meters, controllers, pumps, etc.) are connected to a module called ‘Programmable Logic Controller’. This module is then connected to a workstation computer, which I access from my laptop in the UK.

The Programmable Logic Controller allows me to obtain measurements in real-time and control the system. In this case, the measurements are used to update the mathematical models, while the system is controlled by changing the ‘revolutions per minute’ of the pumps (to change the pulp levels) and/or moving the air valves (to change the airflow rates).

Experimental campaign in 2018 – aerial view of a 300m³ froth flotation tank. Image by @AMPRG_Imperial.

Could this process be used to extract other materials? If so, which ones?

While froth flotation is widely used to separate sulphide minerals of copper, it is also used to separate other sulphides, such as those containing lead, zinc, and molybdenum.

You won an SCI Scholarship. How did you use the funds you received to develop your research?

I used the generous SCI scholarship to partially fund a two-month visit to the laboratory in Chile. I set up new connections for remote control by installing new instrumentation to make it even more automated, and I carried out preliminary online control experiments. Since then, all the control experiments have been carried out from my laptop at home.

I also used the scholarship to fund my participation in several conferences, including one in person in Athens, Greece, in 2021. I have participated in Scholar Days in 2020 and 2021, in which I presented advances in my PhD research to a wide audience. This year, I presented my PhD research results at SCI headquarters for the first time and participated in the Poster Showcase, where I won first place.

Paulina presenting at the SCI Scholars' Showcase in July 2022. Image: SCI/Andrew Lunn

What are your future plans for this innovative technology (and other potential research)?

I plan to keep up the momentum of researching froth flotation optimisation, as I believe that there is still a long way to go for improvement, particularly at an industrial scale. Model predictive control has not been widely explored within the mineral processing industry despite the fact that it has shown great potential. There is still a gap between academia and industry that should be bridged, sooner rather than later, to improve the performance of the process.

Apart from the model predictive control strategy using physics-based models (including the one I have investigated during my PhD research), many other control strategies show great potential to be tested and implemented at an industrial scale.

This is particularly applicable in mineral processing plants, as most of them collect a huge amount of data that could serve as valuable inputs for further improvement and optimisation, using novel engineering tools such as artificial intelligence and digital twins.

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Paulina is part of the Advanced Mineral Processing Research Group at Imperial College London, whose research includes fluid dynamics of flotation tanks and multi-criteria decision-making for sustainable mining and mineral processing.

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In his winning essay in SCI Scotland’s Postgraduate Researcher competition, Angus McLuskie, Postgraduate Researcher at the University of St Andrews, explains his work in replacing non-renewable and toxic feedstocks with novel sustainable catalytic processes to produce useful chemicals.

Each year, SCI’s Scotland Regional Group runs the Scotland Postgraduate Researcher Competition to celebrate the work of research students working in scientific research in Scottish universities.

This year, four students produced outstanding essays in which they describe their research projects and the need for them. In the first of this year’s winning essays, Angus McLuskie outlines his work in improving the production of urea derivatives and polyureas.

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Would you risk your life for plastics and agrochemicals? You might not have to…

Urea derivatives hold a substantial global market, which is dominated by their use as fertilisers in the agrochemical sector, in addition to smaller-scale technical applications as glues, resin precursors, dyes and pharmaceutical drugs. Furthermore, polyureas are important protective coatings, with a global market exceeding £800 million a year.

Currently, urea derivatives and polyureas are produced on an industrial scale using highly toxic chemicals such as phosgene, (di)isocyanates and carbon monoxide. These reagents are detrimental to human health, as evidenced by the release of methyl isocyanate gas from the Bhopal Union Carbide factory in 1984, which led to thousands of deaths and a global outcry.

Phosgene was itself used as a battlefield chemical weapon in World War I, and is sourced from fossil-fuel-derived carbon monoxide. The result is a process with significant health and environmental impacts.

As part of a global drive to tackle climate change and move towards a circular economy, the objective of our research is to replace non-renewable and toxic feedstocks with novel sustainable catalytic processes to produce useful chemicals and materials.

>> More information about the Scottish Postgraduate Researcher competition.

In pursuit of greener methods, we have recently discovered synthetic methodologies, using a catalyst of manganese, to couple dehydrogenatively (1) methanol and (di)amines and (2) formamides and amines to make symmetrical (poly)ureas and unsymmetrical urea derivatives respectively (ACS Catal., DOI:10.1021/acscatal.2c00850).

 

Angus with his poster on Mn-Catalysed Dehydrogenative Synthesis of Urea Derivatives and Polyureas.

The only process byproduct, molecular hydrogen, is valuable in itself, and the non-toxic reagents of methanol or formamide can be sourced from renewable feedstocks. For example, Carbon Recycling International, an Iceland-based company, has developed methods to generate methanol industrially through the direct hydrogenation of CO2 (ATZextra Worldw., DOI:10.1007/S40111-015-0517-0). Formamides can be made from formic acid, which may be produced from biomass or CO2.

Synthesis approach

The synthesis of urea derivatives using this approach has been reported previously using iron and ruthenium catalysts, but these present individual limitations. Iron catalysts result in poor yields and substrate scope, while ruthenium catalysts are expensive and raise sustainability concerns due to ruthenium’s low abundance in Earth’s crust (Chem. Sci. J., doi.org/10.1039/C8SC00775F and Org. Lett., doi.org/10.1021/acs.orglett.5b03328).

The synthesis of polyureas via this approach has only been achieved before using a ruthenium catalyst. With a manganese-based pincer catalyst, we succeeded in making a broad variety of symmetrical and unsymmetrical urea derivatives as well as polyureas at high yields and under a low catalytic loading of 0.5-1 mol%. As the third most abundant transition metal in Earth’s crust, manganese is much cheaper than ruthenium, which improves the economic viability of the process for industrial applications.

Breaking new ground?

This is the first example of the synthesis of polyureas from diamines and methanol using a catalyst of an Earth-abundant metal. We have demonstrated for the first time the synthesis of a potentially 100% renewable polyurea from methanol and a renewable diamine Priamine, which is commercialised by Croda. This could be of interest to emerging businesses for making bio/renewable plastics.

Angus hopes his research will help us develop urea-functionalised agrochemicals and pharmaceutical drugs in a more efficient, greener way.

This initial proof of concept is exciting, but there are challenges to overcome for commercialisation. Evidently, the cost is important, and since the catalyst is much more expensive than reactants, such as amines and methanol, the cost is directly linked to the catalyst’s activity; a homogeneous catalyst that is non-recyclable and offers a turnover number of 100-200 makes the process expensive.

We are now focusing our efforts on enhancing the efficiency of the catalyst to increase cost-effectiveness, which will also allow us to make commercially important urea-functionalised pharmaceutical drugs and agrochemicals with greater efficiency and reduced impact on the environment, human health, and economy.

>> Interested in joining the SCI Scotland Group?

What does an academic’s day look like during term time and in the summer? And how do you get from being a student to teaching at university level? Dr David Pugh, MChem in Chemistry at the University of York, told us about his journey and the skills needed to do his job well.

 

Dr David Pugh

Tell us about your career path to date.

I look after the delivery of practical chemistry teaching in our undergraduate teaching laboratories in the University of York’s Department of Chemistry. This includes both planning what we are going to teach and teaching students in the lab. I actually came to York for my undergraduate degree and have never left! I completed an MChem degree here, before carrying out a Ph.D here under the supervision of Professor Richard Taylor.

What is a typical day like in your job?

In-term and out-of-term days are like two different jobs. When students are here, the days mostly revolve around delivering teaching in the lab. There are lots of organisational aspects to ensure everything runs smoothly and that everyone (students, demonstrators, technicians etc) knows what’s going on, as well as the teaching.

Out of term time, my job is much more around planning for the future, both the logistics of who’s going to come into the lab when, and the actual teaching content. We’re regularly changing parts of the course, and looking for better approaches with the practical teaching to try to ensure we deliver practicals that are effective in the skills they teach, with the right level of complexity.

>> Interested in a career in chemistry publishing? Then see how Bryden Le Bailly, Senior Editor at Nature, went about it.

So, a day out of term time might see me trying to come up with timetables and planning what goes where, or I might be spending time in the lab trying to develop new practicals or refine existing ones.

Which aspects of your job do you enjoy the most?

Teaching students! This is the most enjoyable part of the job – interacting with the students and seeing them slowly develop their practical abilities. It’s especially nice when you see students you’ve taught from when they arrived at university to studying for a PhD and demonstrating in the labs.

What is the most challenging part of your job?

I find developing new practicals for teaching particularly challenging. When you’re a researcher, the outcome of the practical is the key reason for carrying out the lab work: whether it’s to synthesise a new compound or obtain some data to analyse.

With teaching, it’s different. We’re interested in practical processes and whether they are effective at teaching the students.

Teaching labs have many constraints, and practicals need to be designed to take these into consideration. For example, we think about: reaction times, safety of materials, reaction hazards, new skills introduced, practice at existing skills, costs of materials, equipment availability, how many people could carry out the practical, complexity of any analysis, how the labs relate to theory content, and how long it will take students etc.

Developing new practicals that suit the requirements can be really challenging – and you never know exactly how it will turn out until you run it with students for real.

Dr David Pugh (in the blue coat) with Year 3 students.

How do you use the skills you obtained during your degree in your job?

I think the use of the practical skills I learnt will be self-evident in this job, so I’ll focus on some of the other skills. Communication skills are essential, whether using oral skills to explain subjects to students (individually or in groups), giving presentations (e.g. practical briefings), or using written skills (through the lab scripts).

Troubleshooting instruments is a really valuable skill, as the loss of an instrument could really affect students’ progress on a lab day – so being able to quickly fault find and fix is really useful.

And, of course, the skill of being able to learn something you didn’t know how to do is crucial. Chemistry will keep changing, with new areas coming into existence. For example,. programming and computational chemistry are core components in our undergraduate degree programme now, but I had no previous experience in those areas.

Are there any other skills required in the work you do?

Good IT Skills and administrative skills have proved essential. So much of the successful running of the labs comes down to organisation. Being able to manipulate student lists, experiments, marks, attendance data etc is a crucial part of the role – I’d really struggle without effective database and spreadsheet skills that can quickly and efficiently generate the data I need.

Is there any advice you would give to others pursuing a similar career path?

If you do pursue this career path, make sure you network with others doing the same kind of role. Meeting and discussing teaching approaches with those who can really relate is so useful, and makes you really think about how you design and deliver your teaching.

This became even more useful at the onset of the Covid-19 pandemic, when we met regularly to work together to solve the challenges of practical teaching without labs.

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>> Would you like to get involved in the SCI Young Chemists’ Panel? Find out more here.

>> Excited about a career in next generation drug development? Read how Rachel Ellis got involved