Innovation and close collaboration provided the platform for discussions at CIEX 2021. SCI CEO Sharon Todd gives her perspective on the two-day event.

Sharon Todd, SCI CEO

It’s always great to meet new – and old – contacts at events. For so many months, crossing borders wasn’t possible, physically at least, due to the Covid-19 pandemic. Thankfully, the Chemical Innovation Conference (CIEX) provided a welcome change.

On 6 and 7 October, we came together in Frankfurt to discuss the challenges and opportunities in our sector. It was an honour for me to give the opening address – in the same year as SCI’s 140^th anniversary.

Indeed, this year’s event included a well-paced mixture of talks and panel events that addressed post-pandemic difficulties, the challenges of climate change, the need to innovate and much more.

The chemical using industries face an array of challenges besides the practical fallout from the Covid-19 pandemic. Brexit, new regulations, supply chain issues, climate change, sustainability, and geo-political unrest pose significant problems

As an innovation hub, SCI connects industry, academia, patent lawyers, consultants, entrepreneurs and government, and other organisations. And I like to think of CIEX as an innovation hub too.

We have no choice but to innovate, but we must do so in a collaborative, sustainable way. The climate change emergency, for example, means society is looking to chemistry to help find long-term innovative solutions. That’s what made CIEX such an apt time for those in the industry to come together and navigate these challenges.

Innovating beyond barriers

The theme of this year’s event was ‘Game-Changing through Collaboration’. But I also thought of it as Crossing Borders – not just physical borders, but getting through the barriers that block innovation. These barriers hold back the translation of scientific solutions from the laboratory into business and, ultimately, into society.

Our sector is in the spotlight as never before and we can shape a better future. The debates at this year’s CIEX, and the exchange of ideas that took place, will help move us all forward. And what an exchange of ideas it proved to be.

We heard from an amazing line-up of speakers, addressing some of the industry’s most salient issues. BASF’s Christian Beil spoke about how best to leverage lean experimentation and rapid prototyping to improve customer centricity in product design, while Iris AI’s Anita Schjoll Brede described how we can reimagine the R&D work environment.

Ineos Styrolution plans to recycle polystyrene using thermal decomposition or by washing and remelting waste.

Furthermore, Johnson & Johnson’s Luis Allo spoke about the rise of consumer awareness as a driver for innovation. He provided interesting insights on accessing information on real customer trends and needs. Dupont’s Fred Godbille also described several tried and tested methods to assess the voice of the customer.

Elsewhere, Croda’s Nick Challoner assessed how we can unlock innovation through collaboration and partnerships. He also provided an overview of how Croda interacts with universities. On a more technical note, Roman Honeker of Ineos Styrolution outlined the company’s plans to recycle polystyrene using thermal decomposition or by washing and remelting waste.

The discussion on ‘how SMEs interact with corporates’ provided another of the event highlights, with contributions from Clariant, BASF, Chemstars, and SCI’s David Bott. Delegates discussed how SMEs sometimes oversell the potential of their products (without necessarily having much real-world experience) and the allegedly slow-moving, risk-averse nature of some corporates.

Cross-border innovation

Throughout the event, attendees examined what we can do better, how this can be achieved, and the resources needed to make this happen. After all, we must be nimble and flexible in these times of political and social uncertainty.

We can cross borders together – physically and virtually – via close collaboration. And we can cross the borders of what’s possible innovation-wise, removing barriers and journeying into new territory for us all.

To celebrate Black History Month, we take a look back at some of the great Black scientists and innovators. From laser eye surgery to the gas mask, here are some of the seminal contributions made by these ingenious inventors.

[1] Lewis Howard Latimer – Image credit: Unknown author Unknown author, Public domain, via Wikimedia Commons
[2] Leonidas Berry - Image credit: Adundi, CC BY-SA 4.0, https://creativecommons.org/licenses/by-sa/4.0, via Wikimedia Commons
[3] Betty Harris – Image credit: https://www.blackpast.org/african-american-history/harris-betty-wright-1940/ - Fair use image
[4] Patricia Bath - Image credit: National Library of Medicine, Public domain, via Wikimedia Commons
[5] Philip Emeagwali - Image credit: SakaMese, CC BY-SA 4.0, https://creativecommons.org/licenses/by-sa/4.0, via Wikimedia Commons

1880 – Johnson Powell
Have you ever used eye protectors to protect yourself against the glare of intense light? For those working in extreme environments such as fires and furnaces, Johnson Powell’s eye protectors will have been a sight for sore eyes.

1881 – James Wormley
James Wormley invented a life-saving apparatus for boats. His contraption included a string of floats that extended from a ship’s side via a sliding rod with projecting arms. The famous hotelier was also said to be at President Abraham Lincoln’s bedside when he died.

Image Credit: Unknown author, Public domain, via Wikimedia Commons

1882 – Lewis Howard Latimer
Lewis Howard Latimer is probably best known for inventing a durable carbon filament that was key to the success of the electric light bulb. Latimer also invented an evaporative air conditioner and even drafted the drawings to secure the patent for Alexander Graham Bell’s little known invention… the telephone.

>> Click here for more on Lewis Howard Latimer’s extraordinary contribution to science.

1912 – Garrett Morgan
Imagine using your own invention to save people’s lives? That’s exactly what Garrett Morgan did when he donned his patented smoke hood to rescue trapped men from a smoke-filled tunnel beneath Lake Erie. Morgan’s device later evolved into a gas mask, and he also invented a three-position traffic signal, hair straightening cream, and a self-extinguishing cigarette for good measure.

1916 – Madeline M. Turner
Madeline M. Turner’s ingenious invention was the fruit of her own frustration. Turner grew tired of squeezing oranges for her glass of juice, so she created the fruit press machine to solve the problem.

1932 – Richard Spikes
It’s safe to say Richard Spikes was a polymath. The American inventor created an automatic gear shift device for cars, a pressurised beer tap, and a horizontally swinging barber’s chair – all while working as a teacher and barber and being a capable pianist and violinist.

Image Credit: Adundi, CC BY-SA 4.0, via Wikimedia Commons

1966 – Leonidas Berry
This doctor and civil rights advocate invented the Eder-Berry gastroscopy endoscope in 1955, which helped doctors to biopsy the inside of the stomach without surgery. According to the US National Library of Medicine, ‘the Eder-Berry biopsy attachment made the gastroscope the first direct-vision suction instrument used for taking tissue samples during gastroscopic examination’.

Image Credit: https://www.blackpast.org/african-american-history/harris-betty-wright-1940/ - fair use image

1984 – Betty Harris
Perhaps the most explosive discovery of all belongs to Betty Harris. Harris’ spot test for detecting 1,3,5-triamino-2,4,6-trinitrobenzene in the field is used by US Homeland Security today to check for nitroaromatic explosives. In her spare time, Harris has even found the time to work with the Girl Scouts to develop a badge based on Chemistry.

>> SCI is proud to support #BlackinChem. Take a look at some of our recent work.

Image Credit: National Library of Medicine, Public domain, via Wikimedia Commons

1988 – Patricia Bath
Patricia Bath has helped return the gift of sight to thousands of people. The US ophthalmologist invented a quick and painless device that dissolves cataracts with a laser and cleans the eye, enabling the simple insertion of a new lens. Her laserphaco probe is still in use today.

Image Credit: Philip Emeagwali - SakaMese, CC BY-SA 4.0, via Wikimedia Commons

1989 – Philip Emeagwali
Nigerian computer scientist Philip Emeagwali won the prestigious1989 Gordon Bell Prize in Price Performance for a high-performance computer application that used computational fluid dynamics in oil-reservoir modelling. In the same year, Emeagwali also claimed to perform the world’s fastest computation – 3.1 billion calculations per second – using just the power of the internet.

2002 – Donald K. Jones
Donald K Jones made a notable contribution to medicine with his invention of a detachable balloon embolisation device that reduces the size of aneurysms (bulges in blood vessels). The endovascular occlusion device is implanted into the body, whereupon its clever balloon system and adhesive materials reduce the size of aneurysms.

>> Which barriers still block the way for Black chemists? Read Claudio Lourenco’s story.

SCI’s America International group has awarded the 2021 Perkin Medal to Dr Jane Frommer. The 114^th Perkin Medal was presented to Jane at the Bellevue Hotel in Philadelphia, Pennsylvania, in recognition of her outstanding contribution to chemistry.

Dr Jane Frommer

Dr Frommer is renowned for her key contributions in electronically conducting polymers and scanning probe instrumentation. Her pioneering work with scanning probes paved the way for their use in chemistry, materials science and, eventually, in nanotechnology. According to SCI America, her nanoscopic analytic methods are vital to nanostructural research and are used across many industries.

Dr Frommer began her career in 1980 at Allied Corporate Laboratories (now Honeywell), where she created the solution state of electronically conducting organic polymers. In 1986, she joined IBM where, along with other instrumentalists, she demonstrated the ability to image and manipulate single molecules using scanning tunnelling microscopy. During her multi-year assignment at the University of Basel Physics Institute in the early 1990s, Dr Frommer’s team expanded the capability of scanning probes in measuring the functional properties of organic thin films with atomic force microscopy.

Since 2018, she has worked as a science advisor for Google. In this capacity, she has sought to increase the amount of open source data available in the physical and life sciences. She also helps Silicon Valley start-ups navigate the chemical and material challenges of nanotechnology and has mentored countless students and young scientists in high school, college, and in her laboratory in recent decades.

Previous recipients of the Perkin medal include Barbara Haviland Minor, of the Chemours Company, and Ann E Weber, of Kallyope Inc.

Dr Frommer has written more than 100 referred publications and is the co-inventor of more than 50 issued patents. With her extraordinary body of work spanning more than 40 years, she is a worthy recipient of the prestigious Perkin Medal.

The Perkin Medal is widely acknowledged as the highest honour in American industrial chemistry. It was established to commemorate the 50^th anniversary of William Henry Perkin’s discovery of mauveine at the age of just 18. Perkin’s creation of mauveine, the world’s first synthetic aniline dye, revolutionised chemistry and opened up new frontiers in textiles, clothing, and other industries. Perkin was a founding member of SCI and this Medal was first presented to him in New York in 1906.

For more information on the Perkin Medal and the nomination process, visit: soci.org/awards/medals/perkin-medal

SCI was pleased to support #BlackInChem, working alongside our Corporate Partners and members to amplify the voices of our Black chemists.

We have heard stories from several Black chemists who highlighted the steps being taken by many companies to increase diversity. But we can also see that there are many more steps that can be taken to encourage the next generation of budding Black chemists and scientists.

#BlackInChem has had support from Scott Bader, an SCI Corporate Partner, with both Damilola Adebayo and Luyanda Mbongwa sharing their perspectives as employees of Scott Bader. Elsewhere, Cláudio Laurenço gave a compelling account of his journey to become a post-doctoral research associate at a leading consumer goods company.

Cláudio Laurenço worked for free and was overlooked before eventually securing his PhD and starting his career in chemistry.

These chemists are following in the footsteps of some pioneering Black scientists such as Percy Lavone Julian, who has been profiled on the SCI Blog.

Many organisations have expressed their support and shared thoughts on what steps they are taking to encourage and ensure diversity. Indeed, #BlackInChem is a global effort and companies such as GSK have shown their support as well as numerous Black chemists talking about their experiences and achievements over the last week.

Percy Lavon Julian’s pioneering work enabled a step-change in the treatment of glaucoma | Editorial credit: spatuletail / Shutterstock.com

Over the coming months, we will be profiling other Black chemists, past and present, and continuing the dialogue around diversity.

>> We’re always keen to hear about diverse perspectives within chemistry. If you’d like to share your story, please contact: muriel.cozier@soci.org or eoin.redahan@soci.org.

For Cláudio Lourenço, the path from student to multidisciplinary scientist has been far from smooth. The Postdoctoral Research Associate reflects on the institutional challenges that almost made him give up, the mentor whose support was so important, and the barriers that block the way for young Black chemists.

Please give a brief outline of your role.
I work for a leading consumer goods company. I am a multi-disciplinary scientist contributing to the development of novel formulations for household products.

Why are you supporting #BlackInChem?
I’m supporting #BlackInChem because I am a champion for diversity. I believe that what we see from our windows in the street is what we must have inside our workplaces. In an ideal world we should all have the same opportunities, but unfortunately this is somehow far from the truth. We need to motivate our young Black chemists to aim for a career in science by providing welcoming environments and real opportunities instead of just ticking boxes. We need to showcase our Black chemists to show to the younger generation that they can also be one of us.

What was it that led you to study chemistry and ultimately develop a career in this field? Was this your first choice?
I have always been passionate about research and science. My father had a pharmacy, so I was always close to chemistry and was a very curious child. Yes, it was my first choice but the lack of opportunities and trust from universities and scholarship providers made it a long run. My motivation faded and I nearly gave up.

Was there any one person or group of people who had a specific impact on your decision to pursue your career path?
Yes, but after my degree I nearly gave up. It took me nearly two years and changing cities to find something (a voluntary position). I was always keen on taking up mentors to show me how to progress in my career. There were a few people who helped me by training me and teaching me how to navigate the scientific world and pursue a career in science.

I only got my first job (which I worked for free) because of Peter Stambrook, an American scholar from the University of Cincinnati, who I met through a friend while polishing glasses in a restaurant. This man was open and keen to put a word in for me at a leading university in the UK. He taught me so much on how to be a scientist and humbly grow up and make a career in science. Eventually, all his advice kept me on the right path.

What impact would you like to see #BlackInChem have over the coming year?
More Black students in postgraduate courses and an increase in role models to motivate the younger generations to pursue careers in chemistry.

Could you outline the route that you took to get to where you are now, and how you were supported?
Personally, my career path was far from easy. I only managed to get my PhD at 38 years of age. I needed to first prove myself. Despite all my efforts and dozens of applications, I was never considered a good candidate. I needed to work for free for two years to land a proper job in my field of choice. During that time I took on many odd jobs to support myself. I worked for a top 10 university for free and they never saw my worth or gave me an opportunity. With that experience I landed a proper job at a leading pharmaceutical company. After one year with them, they funded my PhD studies and now here I am with a career in science.

Considering your own career route, what message do you have for people who would like to follow in your footsteps?
Never ever give up - it is possible. Look for the right mentors and be humble. You do not need to reinvent the wheel, but only to find someone who can lend you theirs. Learn to grow from the experiences of others and be ready to fail a couple of times - we all do. Be open to learn and never be afraid of following your dreams.

>> At SCI, we’re proud to support #BlackinChem. Reach out to us with your stories.

What do you think are the specific barriers that might be preventing young black people from pursuing chemistry/science?
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. I understand that tradition sometimes prevents this, but we need to change and ignore tradition for a bit.

What steps do you think can be taken by academia and businesses to increase the number of Black people studying and pursuing chemistry/science as a career?

Showcase Black chemists and inventors to motivate the younger generations and show society that Black people are not only artists and musicians. Target extracurricular activities in schools where children are from disadvantaged backgrounds. Train your staff to be open. Create cultural events that not only target Black people but also for other people to learn and see that in the end we are all equal. We all need to learn to embrace our differences and grow together.

>> As we celebrate #BlackinChem, we mark the achievements of some inspirational chemists. Read more about the amazing career of Percy Lavon Julian.

This week SCI is joining with business and academia to mark #BlackInChem, an initiative to advance and promote a new generation of Black chemists.

Over the coming weeks, we shall be profiling past and present Black chemists, many of whom are unsung heroes, and whose work established the foundations on which some of our modern science is built. We start with the outstanding contribution made by Percy Lavon Julian (1899-1975).

Born on 11 April 1899 in Montgomery, Alabama, US, Percy L Julian was the son of a clerk at the United State Post Office and a teacher. He did well at school, and even though there were no public high schools for African Americans in Montgomery, he was accepted at DePauw University, Indiana, in 1916.

Due to segregation Julian had to live off campus, even struggling initially to find somewhere that would serve him food. As well as completing his studies, he worked to pay his college expenses. Excelling in his studies, he graduated with a BA in 1920.

Julian wanted to study chemistry, but with little encouragement to continue his education, based on the fact there were few job opportunities, he found a position as a chemistry instructor at Fisk University, Nashville, Tennessee.

In 1922 Julian won an Austin Fellowship to Harvard University and received his MA in 1923. With no job offers forthcoming, he served on the staff of predominantly Black colleges, first at West Virginia State College and in 1928 as head of the department of chemistry at Howard University.

In 1929 Julian received a Rockefeller Foundation grant and the chance to earn his doctorate in chemistry. He studied natural products chemistry with Ernst Späth, an Austrian chemist, at the University of Vienna and received his PhD in 1931. He returned to Howard University, but it is said that internal politics forced him to leave.

Physostigmine was synthesised by Julian

Julian returned to DePauw University as a research fellow during 1933. Collaborating with fellow chemist and friend Josef Pikl, he completed research, in 1935, that resulted in the synthesis of physostigmine. His work was published in the Journal of the American Chemical Society.

Physostigmine, an alkaloid, was only available from its natural source, the Calabar bean, the seed of a leguminous plant native to tropical Africa. Julian’s research and synthesis process made the chemical readily available for the treatment of glaucoma. It is said that this development was the most significant chemical research publication to come from DePauw.

Calabar bean

Once the grant funding had expired, and despite efforts of those who championed his work, the Board of Trustees at DePauw would not allow Julian to be promoted to teaching staff. He left to pursue a distinguished career in industry. It is said that he was denied one particular position as a town law forbid ‘housing of a Negro overnight.’ Other companies are also said to have rejected him because of his race.

However, in 1936 he was offered a position as director of research for soya products at Glidden in Chicago. Over the next 18 years, the results of his soybean protein research produced numerous patents and successful products for Glidden. These included a paper coating and a fire-retardant foam used widely in World War II to extinguish gasoline fires. Julian’s biomedical research made it possible to produce large quantities of synthetic progesterone and hydrocortisone at low cost.

Percy Lavon Julian | Editorial credit: spatuletail / Shutterstock.com

By 1953 Julian Laboratories had been established, an enterprise that he went on to sell for more than $2 million in 1961. He then established the Julian Research Institute, a non-profit research organisation. In 1967 he was appointed to the DePauw University Board of Trustees, and in 1973 he was elected to the National Academy of Sciences, the second African American to receive the honour.

He was also widely recognised as a steadfast advocate of human rights. Julian continued his private research studies and served as a consultant to major pharmaceutical companies until his death on 19 April 1975. Percy Lavon Julian is commemorated at DePauw University with the Percy L Julian Science and Mathematics Center named in his honour. During 1993 the United States Postal Service commemorated Julian on a stamp in recognition of his extraordinary contribution to science and society.

From genome mining and green synthesis, to tackling tuberculosis and computational methods to help cure malaria, the chemists of tomorrow have been busy showcasing their talents as part of the Society of Chemical Industry Young Chemists Panel’s National Undergraduate Online Poster Competition 2021.

A snapshot of these students’ talents is bottled below in their own words. So, which one of these 15 entries do you think contains the most potential?

1: Genome mining for myxobacterial natural products discovery

Emmanuelle Acs et al., University of Glasgow

Natural products have always had a privileged place in drug development programmes, but their discovery is long and tedious. Genome mining arises as a solution allowing the finding of compounds never seen before. Using an array of bioinformatic softwares, the myxobacterial genome was explored for new Ribosomally and Post-Translationally modified Peptides (RIPPs). Myxobacteria are soil-dwelling bacteria known for the number of secondary metabolites they produce, and they have proven to hide many more within their genome. Indeed, our analyses have led to the potential discovery of nine new myxobacterial natural products. The nature and class of these products is to be confirmed by biosynthesis in the laboratory.

2: De novo design of a lanthanide-binding peptide inspired by the methanol dehydrogenase enzyme active site

Olivia Baldwin et al., University of Birmingham

Lanthanides were thought to be biologically irrelevant until the discovery of bacteria containing the lanthanide-dependent methanol dehydrogenase (Ln-MDH) enzyme. There has been interest in exploiting the attractive properties of the lanthanides by the de novo design of artificial proteins, aiming to explore protein structures and functions not observed in biology. Here, a lanthanide-binding peptide, CS1-0, has been designed de novo and shown to bind to europium and pyrroloquinoline-quinone (PQQ), a key component of the Ln-MDH active site. This partial recreation of a biologically relevant lanthanide binding site is a step towards the ultimate goal of de novo design, to create functional artificial metalloproteins with simplified structures.

3: Template-directed synthesis of porphyrin nanorings: a computational and experimental study

Janko Hergenhahn et al., University of Oxford

Template-directed synthesis provides a route to achieve porphyrin nanorings by favouring ring-closure reaction over oligomerisation. A structurally new template with 12 binding sites has been proposed for the synthesis of novel porphyrin rings; however, initial unsuccessful reactions have raised questions about the binding efficiency of this template to the linear substrate. We have employed classical and quantum modelling together with experimental techniques to explore template-substrate binding in solution and shed light on this process. Titration experiments and modelling have enabled us to study the occupancy of different binding sites and quantify the influence of strain on binding, further guiding novel designs.

4: Transborylation enabled boron-catalysed hydrocyanation of enones

Kieran Benn et al., University of Edinburgh

Hydrocyanation offers an orthogonal route to synthetically ubiquitous amines. Current hydrocyanation methodologies are dominated by the use of acutely toxic hydrogen cyanide gas and transition metal catalysts. Here the application of main-group catalysis and transborylation is reported for the formal hydrocyanation of functionalised alkenes. The catalytic protocol was optimised and applied to a broad range of substrates (20 examples), including examples where chemoselectivity was demonstrated in the presence of reducible functionalities and Lewis basic groups. Mechanistic studies support a proposed catalytic cycle in which B–N/B–H transborylation was a key to catalyst turnover.

Students at the University of Glasgow have used computational analysis to help tackle malaria.

5: Investigation of the structure-property relationship between hydrophobicity and the antimicrobial activity of AMP-mimic copolymers

Xiyue Leng et al., University of Birmingham

Antimicrobial peptides are increasingly employed as new-generation antibiotics, with their amphiphilic nature (contain both hydrophobic and cationic components) mimicked by polymers to enable a more cost-effective approach. However, there is a lack of a quantitative pre-experiment indicator to provide a prospect on their potency. The overall hydrophobicity represented by LogP/SA was proposed to rapidly identify candidates in future designing to reduce synthetic efforts. We show a comparison study between two computational tools used to calculate LogP/SA: ChemBio3D and Materials Studio, in terms of the predictive power and sensitivity, followed by the synthesis of copolymers with a different cationic side chain based on the calculation results.

6: Modelling potential SARS-CoV-2 VIRTAC warheads

Mirjam-Kim Rääbis et al., University of Glasgow

Traditional small molecule therapeutics in medicinal chemistry often require high doses to inhibit the target protein, leading to issues with safety and drug resistance. Proteolysis targeting chimeras (PROTACs) are a new class of molecule that combat these issues, as they can use the body’s own protein degradation systems to degrade targets even at low drug doses. Virus-targeting chimeras (VIRTACs) can use a similar mechanism to target viral proteins. This project uses molecular docking studies to explore potential VIRTAC warheads that target the papain-like protease of SARS-CoV-2, in an attempt to find a potential treatment to COVID-19 that would, among other benefits, offer a lower risk of antiviral resistance.

7: Design, synthesis and biological evaluation of anti-tubercular small molecules

Miriam Turner et al., Newcastle University

Tuberculosis remains one of the top 10 causes of death worldwide, therefore there exists an unmet clinical need for new and improved therapeutics that tackle increasing bacterial resistance and affordability issues. Previous studies indicate N-substituted amino acid hydrazides exhibit good activity against several strains of Mtb. Ongoing structure-activity relationship studies utilising isoniazid, a variety of amino acids, and the active imidazo[1,2-a]pyridine-3-carboxy moiety of clinical candidate Q203 have also demonstrated excellent activities. Herein we report the results of our continued evaluation of this architecture, using a scaffold hopping approach to explore the potential of this pharmacophore as a new anti-tubercular drug.

8: Towards a cure for malaria: computational analysis and design of PfCLK3 inhibitors

Skye Brettell et al., University of Glasgow

Malaria continues to pose a significant challenge to humanity. Resistance to several frontline antimalarials represents a considerable threat, marking the need for new drugs with novel mechanisms of action. Kinase inhibitors represent a potential new class of antimalarials. TCMDC-135051 is a hit compound with activity against malarial kinase PfCLK3 as well as potency in liver, blood and sexual stage parasites. During this project, sequential analysis of the PfCLK3 catalytic domain identified key structural differences between the target and its human orthologs. Molecular docking studies of TCMDC-135051 analogues using GOLD then yielded potential lead compounds with predicted high affinity for the target kinase.

9: Mind the gap! Through-space electronic stabilisation of dynamic azaacene-extended helicene diimides

Matteo Albino et al., University of York

The strain-induced contortion of non-planar, chiroptically-active helicenes caused by fjord steric repulsive interactions is well known. Fjord-mediated planarisation, on the other hand, is far less common and has typically only been achieved via inherently strong covalent bond formation. Herein, I present the properties and density functional theory (DFT) analysis of electroactive aza[5]helicenes exhibiting unexpected through-space π-electronic stabilisation in the reduced states as a result of non-covalent fjord bonding effects. Computational modelling of optical spectra and aromatic-induced current densities reveal that lone pair-repulsive nitrogens in the fjord promote favourable ring currents and reversible helicene planarisation.

10: Mitochondria targeted metal-chelators as potential therapeutic agents against Parkinson’s Disease

Sam Andrew Young et al., Northumbria University

The synthesis of metal chelating molecules, specifically hydroxypyridones (HOPOs), have been identified as potential therapeutic agents for treating Parkinson’s Disease (PD) as bidentate ligands at the two oxygen donor atoms. These ligands are selective for ferric iron in the body, which is expected to stop the reduction of this iron accumulated in the brains of PD sufferers, hindering the Haber-Weiss mechanism from taking place in the mitochondria of the cell and preventing the associated degeneration of the cells. The lipophilicity of these HOPOs is vital to the process, allowing the molecule to transverse the blood-brain barrier, the addition of a triphenylphosphonium group on the HOPO is thought to increase therapeutic effect.

At Heriot Watt University, students have investigated the skin irritation potential of nanoclays using an IATA

11: Green synthesis of n-acetylcolchinol

Adelaide Lunga et al., Loughborough University

The aim of this project is to develop a short synthesis of N-acetylcolchinol using a greener and step-economical pathway. First, aldol condensation of 3-hydroxyacetophenone and 3,4,5-trimethoxybenzaldehye using ethanolic NaOH produced the respective chalcone. The product was reduced electrochemically in DMSO:MeOH (4:1) employing carbon electrodes and NEt4Cl to the saturated benzylic alcohol, which was converted to an acetamide via Ritter reaction using H2SO4 in MeCN. In the final step, the conditions were optimised to enable electrochemical oxidative coupling of the aromatic groups to give the desired N-acetylcolchinol. This novel four-steps reaction sequence avoids use of transition metal catalysts or toxic reagents.

12: Towards the synthesis of small-molecule probes to measure endosulfatase activity

Yi Xiao et al., University of Oxford

Human endosulfatases (SULFs) are enzymes on the cell surface and in the extracellular matrix that hydrolyse 6-O-sulfate on glucosamine units within heparan sulfate proteoglycans. SULFs are involved in growth and development, muscle regeneration and tumour growth via various signaling pathways, with untapped therapeutic and diagnostic potentials. However, profiling SULFs remains a challenge. Antibodies detect their presence, but do not indicate their activity state. The current activity assay is a global sulfatase assay and is not selective in a biological sample. We propose a novel small-molecule probe to profile SULF activity by exploiting the formation of 1,6-anhydrosugar, which can be potentially used in isolated proteins and in vitro.

13: Developing machine learning models to predict the Hansen solubility parameters

Alexander Pine et al., University of Greenwich

Solubility parameters are important for pharmaceutical formulations, paint formulations and new material development. There is a need to improve the accuracy of solubility calculations, and to be able to make rapid predictions of the solubility of new molecular structures. In this project, a range of Python plugins, and open-source codes have been used to develop a Lasso linear regression machine learning model to predict the Hansen solubility parameters (HSP) - δd, δp and δh, which represents dispersion forces, dipole-permanent dipole forces and hydrogen bonding respectively with the intention of making faster and more accurate prediction in solubility.

14: The cycloaddition between cyclononyne and mesyl azide

Alexander David Robertson et al., The University of Glasgow

This research considers computational modelling of a SPAAC reaction involving cyclononyne. DFT calculations were performed on the strain promoted reaction between cyclononyne and mesyl azide. Three low energy conformers of cyclononyne with Cs, C2 and C1 symmetry were found with similar energy. The transition structures for the corresponding cycloaddition with mesyl azide were found and the C2 conformer was the lowest in energy. Product structures were found leading to the identification of the thermodynamic product of the reaction. Distortion/interaction analysis showed that the cycloalkyne was already significantly pre-constrained to its reacting geometry.

15: The assessment of skin irritation potential of nanoclays using an IATA

Holly King et al., Heriot Watt university

Clays are natural nanomaterials consisting of mineral silicate layers. They have several functional uses in everyday life. An example of nanoclays that carry out a wide range of roles is smectites which include montmorillonite (MMT), bentonite and hectorite. These nanoclays can be used in cosmetics, altering their appearance and in pharmaceuticals as drug carriers and wound dressings. Integrated approach to testing and assessment (IATA) aim to collect all relevant data into one easy to understand format that can be used to group materials. Using an IATA dedicated to skin irritation/corrosion it was found that MMT was safe for use. However, hectorite was found to be toxic at high doses indicating that it is a possible irritant to the skin.

Many thanks to the sponsors of this year’s competition: GSK, AstraZeneca, TeledyneIsco. The event runs until 9 July, so let us know what you think of the entries on Twitter at #SCIPosterComp.

If you’d like to see these students’ full posters, go to: https://istry.co.uk/postercompetition/5/?date_example=2021-06-28

Every tin can dropped into our recycling bins is a small act of faith. We hope each one is recycled, yet the figures take some of that fervour from our faith. According to UK government statistics from 2015-2018, only about 45% of our household waste is recycled. Similarly, the UN has noted that only 20% of the 50 million tonnes of electronics waste produced globally each year is formally recycled. So, it’s fair to say we could do better.

Thankfully, thousands of people around the globe are working on these problems and two recent developments give us grounds for optimism. The first involves upcycling metal waste into multi-purpose aerogels, and the second involves fully recyclable printed electronics that include a wood-derived ink. 

Upcycling metal waste

Researchers at the National University of Singapore (NUS) claim to have turned one person’s trash into treasure with a low-energy way to convert aluminium and magnesium waste into high value aerogels for the construction industry.

To do this, they ground the metal waste into a powder and mixed it with chemical cross-linkers. They heated this mixture in an oven before freeze-drying it and turning it into an aerogel. The team says this simple process makes their aerogels 50% cheaper than commercially available silica aerogels.

Aerogels have many useful properties. They are absorbent, extremely light (hence the frozen smoke nickname), and have impressive thermal and sound insulation capabilities. This makes them useful as thermal insulation materials in buildings, in piping systems, or for cleaning up oil spills. However, the NUS team has loftier goals than that.

There is a great need for less energy intensive ways to recycle metals

“Our aluminium aerogel is 30 times lighter and insulates heat 21 times better than conventional concrete,” research team leader Associate Professor Duong Hai-Minh whose research has been published in the Journal of Material Cycles and Waste Management. “When optical fibres are added during the mixing stage, we can create translucent aluminium aerogels which, as building materials, can improve natural lighting, reduce energy consumption for lighting and illuminate dark or windowless areas. Translucent concrete can also be used to construct sidewalks and speed bumps that light up at night to improve safety for pedestrians and road traffic.”

The aerogels could even be used for cell cultivation. Professor Duong explains: “Microcarriers are micro-size beads for cells to anchor and grow. Our first trials were performed on stem cells, using a cell line commonly used for testing of drugs as well as cosmetics, and the results are very encouraging.”

Whatever about these speculative applications, this upcycling method will hopefully help us find new homes for all types of metal waste including metal chips and discarded electronics.

Recyclable printed electronics

A team at Duke University has also made interesting progress in reducing electronic waste. The researchers claim to have developed fully recyclable printed electronics that could be used and reused in a wide range of sensors.

The researchers’ transistor is made from three carbon-based inks that can be printed onto paper, and their use of a wood-derived insulating dielectric ink called nanocellulose helps make them recyclable. Carbon nanotubes and graphene inks are also used for the semiconductors and conductors, respectively.

A 3D rendering of the first fully recyclable, printed transistor.
CREDIT: Duke University

“Nanocellulose is biodegradable and has been used in applications like packaging for years,” said Aaron Franklin, the Addy Professor of Electrical and Computer Engineering at Duke, whose research has been published in Nature Electronics. “And while people have long known about its potential applications as an insulator in electronics, nobody has figured out how to use it in a printable ink before. That’s one of the keys to making these fully recyclable devices functional.”

The team has developed a way to suspend these nanocellulose crystals (extracted from wood fibres) with a sprinkling of table salt to create an ink that performs well in its printed transistors. At the end of their working life, these devices can be submerged in baths with gently vibrating sound waves to recover the carbon nanotubes and graphene components. These materials can be reused and the nanocellulose can be recycled just like ordinary paper.

The team conceded that these devices won’t ruffle the trillion dollar silicon-based computer component market, but they do think these devices could be useful in simple environmental sensors to monitor building energy use or in biosensing patches to track medical conditions.

Read about the Duke University research here: https://www.nature.com/articles/s41928-021-00574-0
Take a look at the NUS study here: https://link.springer.com/article/10.1007/s10163-020-01169-1