Synthesis Catalysis and Process

Future Research Focus:

Catalysis: Catalytic processes permeate chemistry from the multi-tonne industrial synthesis of commodity chemicals to individual bond forming reactions on the milligram scale in lab reactions. We combine mechanistic insight from advanced analytical techniques and computational insight to design catalysts for key transformations, with particular focus on earth-abundant metals, metal-free organocatalysts, sustainable transformations, optimal use and recycling of key metals, and nanoscale control of heterogeneous catalysts.

Flow and automated chemistry: Future manufacturing is likely to move away from the capital-intensive large scale plants of today towards more distributed local manufacture. Developing our expertise in flow and automated chemistry combined with data-driven approaches will help develop low-impact routes to important compounds.

Process design: We will use mechanistic understanding to develop new processes through

1. understanding structure-activity relationships,
2. harnessing new data driven approaches,
3. applying sustainable catalytic materials and
4. novel process monitoring and process innovation.

Materials Discovery

Future Research Focus:

Materials design: The preparation of new extended and molecular materials with focus on applications in energy (fuel cells, batteries, thermoelectrics), the environment (recycling, selective recovery), resilience/security (counterfeit detection, explosives detection, molecular sensing) and health (molecules and materials for imaging, diagnostics and pharmaceutical formulation). We anticipate lab-based studies will become increasingly guided by theoretical and big-data-derived predictions.

Materials understanding and optimisation: New analytical and computational methods (including those developed in Durham) offer new ways to study materials under real operating conditions (i.e. operando rather than just in situ) with spatial or temporal resolution unimaginable a decade ago. Techniques such as 4D XRD-CT and advanced spectroscopies will allow study of energy-related and catalytic materials with unprecedented detail, whereas free electron lasers may allow studies of evolving crystalline and amorphous materials down to the femtosecond timescales of individual atomic vibrations. These experimental efforts will need to be conducted side-by-side with complementary computational studies.

Materials control: The transition of new materials from the lab to the real world will become an increasing focus. We will need to develop the techniques and methods to “formulate” our new materials into the thin film, nanocrystalline gel or amorphous forms needed for applications. The production of light weight, flexible or wearable heavy-metal-free functional materials (“molecular electronics”) and the understanding and control of pharmaceutical solids will be significant focus areas.

Soft Matter, Polymers & Interfaces

Future Research Focus:

Building resilience in consumer devices: Consumer technology must move away from the “use and dispose” model to achieve sustainability. The devices of the future must be constructed so that they are easy to dismantle or repurpose at the end of their lifespan. Realising this goal will require new materials and fabrication approaches. Currently, Durham Chemistry has a strong technical footing in the design, synthesis and characterisation of new soft materials, but to address this challenge we must better integrate with those developing innovative manufacturing and recycling processes. We will exploit networks with colleagues in the Department of Physics, in other universities and in industry.

Realising a circular economy for soft matter: We must develop the science to allow the replacement of the commodity plastics of the 20th century with new high performance polymers from sustainable feedstocks. This goal requires cross fertilisation of ideas with those working the Sustainable and resilient chemistry focus area, and present opportunities for engagement with colleagues in the Business School on life-cycle analysis and consumer behaviours.

Animate materials: The low energy-input that soft materials need for structural change offers enormous opportunities for the design of animate materials with the capacity for autonomous decision making. Bio-inspired smart materials have enabled innovation in areas as diverse as water purification, clean energy and advanced healthcare. The future of the field lies beyond biomimicry, using the wealth of building blocks provided by soft matter scientists to design new and innovative materials, operating beyond the constraints of biological systems.

Sustainable & Resilient (Bio)Chemistry

Future Research Focus:

Feedstocks and scarcity: We will explore new sources for key chemical feedstocks, for example by using CO2 from syngas, sustainable biomass, and industrial waste streams. We see significant opportunities in recovering the metals needed for many transformations from mining and electronic/electrical waste. We will focus on manufacturing chemistries capable of operating with diverse building blocks to enhance resilience. Full life cycle analysis (LCA) of the energy, feedstock and safety aspects of all the technologies we develop will be considered from the outset.

Biofactories: Chemistry-centric approaches to sustainable feedstocks and processes will need to be complemented by exploiting the potential of biological systems to perform key processes. Biosystems have reduced reliance on precious metal catalysts and petrochemically-derived feedstocks and can be less energy intensive. We will use our synthetic, structural and chemical biology expertise to sustainably deliver complex molecules, materials and feedstocks. We will focus on biorefining industrial waste streams to high value products.

Theory, Computational & Data Led

Future Research Focus

Data driven chemistry: The application of DFT and other electronic methods is already strongly embedded in mainstream molecular and materials chemistry, whilst techniques such as atomistic, coarse-grained and continuum methods have similar impact on soft matter and biological materials research. We will continue existing methodological advances in these areas. It is clear, however, that methods will evolve to fully integrate machine learning (ML), artificial intelligence (AI) and big-datadriven approaches. Chemical impact of these techniques will only be fully realised through in-depth development of methodology by chemists. In particular, effort is needed to make the techniques uncertainty-tolerant. New appointments will be required to achieve this.

Automation and synthesis: Whilst the hands-on intuition-led chemist will remain important for the next 20 years and more, there are science areas where automation, parallel processing and automated data processing will have an impact. These will require data-savvy chemists working in close collaboration with their synthetic colleagues.

Research led education: The research methods outlined here will be of increasing importance to the “normal chemist” of 20 years time. We will need future graduates able to (a) formulate questions, (b) identify the data and evidence required to solve problems, (c) be flexible enough to cope with complexity and, (d) be capable of implementing all stages of this process model. It is also clear that students will need to have a solid grounding in coding. Python is the obvious vehicle. This must be woven into the under-graduate and post-graduate curriculum from level one. It cannot be bolted on at the end.

Photonics, Spectroscopy & Sensors

Future Research Focus

Transformative spectroscopies: We will anticipate and initiate disruptive spectroscopies that can be applied to chemical processes and detection. We will target technologies for precision detection and measurements in challenging environments (ionised gases, surfaces, in vivo, etc) as well as for real-world monitoring applications key to UN sustainability goals (clean air, clean water, ground pollutants, etc). Novel microscopy techniques will push the boundaries in spatiotemporal efficiency and detection-efficiency. Instrument development opportunities for miniaturisation, human integration and transfer to industry will be monitored and implemented via DU spin outs. Multidimensional techniques and big data tools will be central to these activities.

New materials: We will continue our highly-successful programs designing, synthesising and employing new molecular and extended light-emitting materials for sensing, diagnostic, therapeutic and display applications.

Light induced chemistry: Sunlight-driven processes for (bio)chemical synthesis and pollutant removal via techniques such as photocatalysis will become increasingly important in future years.

Drugs and Medicinal Chemistry

Future Research Focus:

Drug discovery: Drugs for NTDs are limited in number and challenged by poor efficacy, toxicity, growing resistance and difficult modes of administration. As such there is a major need for the identification and validation of new drugs and drug targets. By developing and applying state-of-the-art methods in chemical and classical genetics and the “omic” technologies we will undertake early-stage drug discovery derisking new anti-infective agents and drug-targets for downstream development by major pharma and charities through established PPP mechanisms. Much of this expertise can also be applied to emerging pathogens, where understanding of pathogenesis may be limited, and effective treatments are needed quickly.

Drug delivery: The real-world impact of many new drugs and vaccines is limited by challenges such as the need for cold storage or for multi-day injection regimens in a controlled healthcare setting. We will develop new formulations designed specifically for and with endemic communities affected by disease. We will use solid state and supramolecular chemistry principles (through our Materials expertise) to produce shelf-stable long-life formulations with the physical chemical profile to enable simple topical and cutaneous delivery systems. Smart biodegradable polymers will be engineered to provide slow-release dermal patches and oral capsule delivery enabling combination therapies essential to minimise resistance.

Diagnosis: A major hurdle in treatment is achieving the early diagnosis required for effective cures. Intelligent design of new sensors and markers of diseases will lead to simple rapid point of care diagnostics that can be used in a non-clinical setting. These should exploit widely available technologies such as that in smart phones and link to our “Chemical photonics, spectroscopy and sensors” focus.

Agritech and Aquaculture

Future Research Focus

Agrochemical inputs: The current arsenal of agrochemical inputs (herbicides, insecticides, fungicides, safeners, etc) are challenged by increasing resistance and environmental restrictions. There is an urgent need for better more selective agents. Through a molecular understanding of crop and weed biology we will design and develop new chemical agents that will underpin crop yields for the future.

Smart formulations: In alignment with work within the Drugs and medicinal chemistry focus area formulation represents a key challenge area and opportunity. Current crop protection agents have to rely on “cheap chemistry” because delivery methods (e.g. boom sprayers) lack precision leading to high levels of waste and loss to the environment. Through innovative soft matter chemistry, we will address new formulations, surfactants and smart materials that enable precision delivery (e.g. exploiting robotically-delivered ink jet printing technologies) or new seed dressing and slow-release capsules to enable controlled delivery of active ingredient to the roots. This will enable the use of higher-cost yet higher-efficacy and more selective agrochemical agents.

Enhanced diagnostics for field-based monitoring: Crop yield is intertwined with plant health. With climate change leading to increasing abiotic and biotic challenges (e.g. drought, flood, pest and pathogen invasion), better detection of plant stress is vital for intelligent and targeted crop interventions. We will design novel environmentally sensitive sensors and detection systems that allow for remote or automated monitoring, delivering new analytical technologies for modern agricultural land management. Interactions with engineers, physicists and data scientists will be crucial.

Environmental clean-up: Land remediation will play an important role in future agriculture. Growing engineered or genetically modified plants could produce unique feedstocks for a biofactories initiative whilst cleaning soil for future crops.

Aquaculture: On a 100 year timescale aquaculture will be needed alongside traditional agriculture. Initial impact is most likely to be through the use of plants or microrganisms to produce feedstock for a biofactories type initiative. We have little current expertise in this area and would need to build collaborative initiatives with other Departments. Our long-term strategy committee will monitor the field and suggest seminar speakers who could raise awareness of the opportunities.