Dial-a-Molecule Grand Challenge Network continuation
Dial-a-Molecule Grand Challenge Network continuation
批准号:
EP/K004840/1
负责人:
Richard Whitby
金额:
$57.37万
依托单位国家:
英国
项目类别:
Research Grant
财政年份:
2012
资助国家:
英国
项目状态:
已结题
起止时间:
2012 至 --
中文摘要
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英文摘要
Much of modern life (and life itself) is based on molecules with specific structures and properties (e.g. as pharmaceuticals, agrochemicals, plastics, liquid crystals, electronic materials etc). 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 is 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' Grand Challenge (GC) 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. It is a difficult problem which will require input from many disciplines not currently engaged with synthesis, and we estimate will require 20-40 years to accomplish. We expect that even the initial steps towards the GC will have substantial economic and scientific benefit as so much industry and science relies on access to designed molecules to progress. 2 years ago the EPSRC established the Dial-a-Molecule network to define a roadmap to the GC and to start to build the cross-disciplinary and industry-academia collaborations needed to deliver it. The network ran a launch meeting (200+ attending), 6 two day workshops (30-40 people at each) to identify the key challenges in theme and focus areas, and a variety of 1 day meetings. It has established a network of over 400 people (38% from industry, and of the academic members 58% are from outside the traditional synthesis area), a web site (www.dial-a-molecule.org), and delivered a draft roadmap to the GC to the EPSRC (final version to be published in April 12). The key challenges were identified as: 'Making synthesis predictable', as currently >90% of time is typically spent on failed or far from optimum reactions; 'Smart synthesis by design', as we need to be able to sequence reactions efficient and find the best route to targets; and 'Sustainable synthesis for a sustainable future' as any solution must be economically and environmentally beneficial. It reinforced that transforming synthesis into a more data driven discipline, and building a multi-disciplinary community to tackle the GC were crucial steps.The current grant seeks funding to extend the network for a 3 year period, at the end of which it expects to be self-sustaining. Although there is still work to be done extending the range and depth of involvement of a number of disciplines, the emphasis of the second phase is on delivering funded groups and consortia to start to tackle the challenges identified in the roadmap. It will run meetings in targeted areas to establish cross disciplinary groups to apply for funding, it will fund knowledge exchange between disciplines and between industry and academia, and will fund some proof-of-concept work in critical areas. It has an active industrial advisory board to ensure that opportunities for early stage commercial exploitation are not missed. The network will also raise the profile of 'Dial-a-Molecule' on both the national and international stage through open meetings, outreach work, and direct interactions with funders and politicians.
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Dial-a-molecule workshop: computational prediction of reaction outcomes and optimum synthetic routes
DOI:
10.1186/s13065-015-0129-9
发表时间:
2015-09-23
期刊:
Chemistry Central Journal
影响因子:
--
作者:
[Kilpin KJ, Goodman JM, Johnson AP, Whitby RJ]
通讯作者:
Whitby RJ
Lost in chemical space? Maps to support organometallic catalysis.
在化学空间中丢失?支持有机金属催化的地图。
DOI:
10.1186/s13065-015-0104-5
发表时间:
2015
期刊:
Chemistry Central journal
影响因子:
--
作者:
[Fey N]
通讯作者:
Fey N
DOI:
10.1186/s13065-015-0122-3
发表时间:
2015
期刊:
Chemistry Central journal
影响因子:
--
作者:
[Kilpin KJ, Whitby RJ]
通讯作者:
Whitby RJ
DOI:
10.1186/1758-2946-5-52
发表时间:
2013-12-20
期刊:
Journal of cheminformatics
影响因子:
8.6
作者:
[Coles SJ, Frey JG, Bird CL, Whitby RJ, Day AE]
通讯作者:
Day AE
ChemTrove: enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources.
ChemTrove:通过使用可转移插件和在线数据源,使通用 ELN 能够支持化学。
DOI:
10.1021/ci5005948
发表时间:
2015
期刊:
Journal of chemical information and modeling
影响因子:
5.6
作者:
[Day AE]
通讯作者:
Day AE
共 7 条
Dial-a-Molecule Grand Challenge Network, Phase III
-
批准号:EP/P007589/1
-
项目类别:Research Grant
-
资助金额:$32.37万
-
财政年份:2016
-
负责人:Richard Whitby
-
依托单位:
Closed loop optimisation for sustainable chemical manufacture
-
批准号:EP/L003309/1
-
项目类别:Research Grant
-
资助金额:$124.05万
-
财政年份:2013
-
负责人:Richard Whitby
-
依托单位:
Dial-a-Molecule. 100% efficient synthesis.
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批准号:EP/H034447/1
-
项目类别:Research Grant
-
资助金额:$19.43万
-
财政年份:2010
-
负责人:Richard Whitby
-
依托单位:
Reagent-Free Flow Chemistry: The Generation and Trapping of Reactive Intermediates
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批准号:EP/G027986/1
-
项目类别:Research Grant
-
资助金额:$50.02万
-
财政年份:2009
-
负责人:Richard Whitby
-
依托单位:
国内基金
海外基金
D-A类共轭聚合物晶界内部tie molecule构象调控
-
批准号:51573185
-
项目类别:面上项目
-
资助金额:70.0万元
-
批准年份:2015
-
负责人:韩艳春
-
依托单位:
耦合可积系统及其molecule解的研究
-
批准号:11026119
-
项目类别:数学天元基金项目
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资助金额:3.0万元
-
批准年份:2010
-
负责人:王红艳
-
依托单位: