Dial-a-Molecule. 100% efficient synthesis.

Molecules are collections of atoms connected together in a specific way. Even constrained to those elements most used (C, N, H, O, P, S) the number of possible molecules, even using small numbers of atoms, is vast, and every molecule has different properties. It is unsurprising then that much of modern life (and life itself) is based on molecules with specific structures and properties (e.g. as pharmaceuticals, agrochemicals, plastics, liquid crystals). The task of making molecules is challenging - an organic molecule containing just a few dozen atoms can easily take many man-years of effort to complete. The result is that many of the molecules we use are compromises - the easiest to make that have acceptable function, rather than being the best for the job. One example of this is in pharmaceuticals when the need to use simple, easy to make compounds leads to cross-activity (interaction with other than the target biological system) as the compromise, and hence undesirable side effects.The aim of the 'Dial-a-Molecule. 100% efficient synthesis' Grand Challenge (GC) network is to make the synthesis of any desired molecule as easy as dialling a number thus removing a severe constraint to progress in many fields. A linked aim is to make synthesis 100% efficient. Currently in the production of a molecule many times the mass of the desired product (typically 1000's of times) is produced as waste with consequent disposal and cost implications. With 100% efficient synthesis there would be no waste to dispose of and the process would be much cheaper and consume less energy. This proposal is to establish a network covering a wide variety of disciplines to both identify how to tackle the Dial-a-Molecule GC by producing a 'Roadmap', and to establish groups of people to work on solving the problems identified. It also aims to promote the GC to secure funding for the work, and maximise commercial benefit from tackling the GC.The network will fund and support the formation of groups of scientists to work on 4 themes ( Synthetic route selection , Lab of the future , A step change in molecular synthesis and Catalytic paradigms for 100% efficient synthesis ) which have been identified as being the keys to the GC. The network will also fund a series of 'sandpits' in which experts from disparate disciplines pool their knowledge and imagination in an intensive meeting to produce potentially transformative ideas aimed at the Grand Challenge.The types of questions to be answered to tackle Dial-a-Molecule include:How can we reliably predict how to convert one molecule into another?How can we carry out a series of reactions sequentially?Can we invent modular reactions and/or reactors which can be linked in a myriad of ways to provide synthesis of a complexity to match the challenge of Dial-a-Molecule .It will take contributions from computing, mathematics, engineering (chemical, electrical/electronic, control, systems, microsystems), analytical and physical chemistry and other disciplines, as well as dramatic advances in synthesis to tackle the Grand Challenge. Although Dial-a-Molecule is expect to take 20-40 years to achieve, we expect there to be substantial advances, and consequent commercial benefits, in the initial stages.

The proposed Grand Challenge provides a framework for engaging workers across a wide range of disciplines to deliver next-generation (and beyond) advances in the delivery of molecules 'to order' while addressing the environmental footprint associated with molecular synthesis. The potential impact of such activities is immense: Societal impact. If it were possible to make any molecule on demand at reasonable cost (monetary and environmental) the societal impact would be immense. It would lead to the faster delivery of new medicines and medical technologies, increased yields in food production, sustainable new materials, next generation electronics, improved forensic determination and security devices etc. Moreover, it underpins futuristic technologies, being essential to the development of useful nano-machines and next generation of post-silicon super-computers. To this must be added the combined challenges posed by a year-on-year increase in consumer demand, the world's finite natural resources and a public evermore conscious of its environmental legacy - it is unsustainable (and unethical) to simply transfer the burden of low-cost production and waste generation to other countries. The outcomes of this Grand Challenge will allow the UK to take a lead in reducing environmental impact while providing the next generation drugs, materials and products that society demands and requires. Economic impact. The UK has a strong, internationally leading Chemical Industry, spanning the global pharmaceutical and agrochemical sectors through to emerging high-tech SME's, each generating huge revenue for the UK exchequer. The pharmaceutical industry is still the third most profitable economic activity (after tourism and finance) in the U.K. The chemicals and pharmaceuticals industries across the western world are however experiencing significant and growing pressures from competitors in the emerging economies. It is economically vital that the UK retains a vibrant presence in this sector, and this can only be achieved by leading in the area of generation of new intellectual property, be that in the form of determining which marketable molecules are made or how they are made. The work outlined herein will address these issues, helping secure the future economic health of the sector. Governmental impact. As well as the economic benefits outlined above, the grand challenge addresses the ever-present dichotomy between wealth creation and environmental impact. The work will allow UK government to take a lead role in setting international standards to minimize global manufacturing waste and emissions and in providing low-cost healthcare to the third world and emerging economies etc. Academic. Alongside the implicit interactions between synthetic chemists and chemical engineers, this project provides a mechanism for engagement with disciplines as diverse as computer science, mechanical and electrical engineering, mathematics, analytical science, physics, surface science, biotechnology, chemical biology, medicine, materials, biochemistry, nano-materials and nano-science. The opportunities for academic growth and the development of new research paradigms are immense. The current Grand Challenge is unique to the UK and offers UK researchers the chance to engage in agenda-setting collaborative research that will define the way molecules are made worldwide for the foreseeable future. It will also offer clearly visible benefits of global importance (e.g lower-cost healthcare, energy solutions, cleaner/greener processes) that will serve to inspire future generations of students to take up studies in the chemical sciences, engineering and related disciplines, securing the future supply of experts to move the discipline forward.