February2015 WelcometotheFebruary2015EditionoftheDial0a0Molecule Newsletter.Wehaveabusycalendarforthenextfewmonths,so pleasereadontofindoutaboutthemeetingsthatwehaveplanned andsomefundingopportunitiesthatareavailable. In'this'edition ' Dates&for&your&Diaries:&Upcoming&Meetings:& ClosedLoopOptimisationofSynthesis:16April FromBigDatatoChemicalInformation:22April MakingMoleculestoMakeMaterials:AnExclusiveECREvent: 19020May Dial0a0Molecule3 rd AnnualMeeting:30June&1July Meeting&Report:&&CatalyticSustainabilityintheFuture Funding&Opportunities:& Dial0a0MoleculeMobilityGrants ECRTravelBursaries Connect' www.dial0a0molecule.org @DaM_Challenge Dial0a0MoleculeEPSRC GrandChallenge Contact' DrKellyKilpin NetworkCoordinator K.J.Kilpin@soton.ac.uk Tel:+440)2380597314 TheGrandChallengeisownedbythecommunityandwevalueyourinput andfeedback,soifthereisanythingyouthinkthenetworkshouldsupport orgetinvolvedin,pleasegetintouch
February2015 Event:'Closed'Loop'Optimisation'of'Synthesis' GSK'Stevenage,'16'April'2015' Theoptimisationofsyntheticproceduresisatime consumingprocesswhichisrarelycarriedoutas efficientlyaswouldbedesirable.automated reactionequipment,andin0line/in0situanalytical toolsarebecomingmorereadilyavailable,butthese stillrelyonthechemisttoset0upreactions,analyse theoutcomes,anddecidewhichexperiments)todo next. Joinusforadiscussiononhowto"ClosetheLoop" andutilisecomputeralgorithmsandautomated equipmenttoremovethedrudgeryfromoptimising syntheticprocedures. Registrations&close&22&March&2015& OrganisingCommittee:RichardWhitby,Andrew Richards,RobinAttrill&GillSmith Plenary&Speakers:& Dr&Richard&Bourne&University&of&Leeds)& Automatedoptimisationincontinuousflow reactors Prof&Martyn&Poliakoff&University&of& Nottingham)& SelfEoptimisingandotherreactions Nullam'ac'ipsum'gravida'sem' placerat'suscipit.' Prof&Lee&Cronin&University&of&Glasgow)& Usingconfigurablerobotics,algorithmsand randomnesstodiscoverandsynthesisenew molecules Also&included&on&the&program& UpdatefromtheDial0a0Moleculeinspired ManufacturingtheFuture:ClosedLoop OptimisationforSustainableChemical Manufacture team FlashPosterSession Exhibitionfromkeytechnologysuppliers Visitwww.dial3a3molecule.orgforthefullprogram EarlyCareerResearcher TravelBursaries Dial0a0MoleculehavebursariesavailabletohelpECR s attendourmeetings.thesecovertravelexpensesand accommodationcostsandcanbeappliedforon meetingapplicationforms. Note:ECR saredefinedaspostedoctoralresearchfellows andacademicstaffinthefirstthreeyearsoftheirfirst academicappointment. 2
February2015 Event:''From'Big'Data'to' Chemical'Information' Royal'Society'of'Chemistry,'22'April' An'event'jointly'organized'by'DialLaLMolecule'and'the'RSC' Chemical'Information'and'Computer'Applications'Group' Largeandcomplexdatasets,oftenreferredtoas BigData,canbedifficulttomanageandanalyse usingconventionalprocessesandsoftwaretools. Suchdatasetsexistinmanydisciplines,and chemistryisnoexception.mostchemistsare familiarwiththehugegrowthinthenumberof compoundsregisteredindatabasesinthepublic domain,themajorityofwhichhavedataassociated withthem.manywillalsohavestruggledwith increasinglylargedatasetsgeneratedthroughtheir work,oftenstoredinspreadsheetswithlimited analyticalcapabilities. Todownloadaregistrationform,pleasevisit www.dial0a0molecule.org Program& 10.00Registrationandtea/coffee The&Rise&and&Impact&of&Big&Data&& 10.30&Welcome&and&Introduction.DrHelenCooke, CICAGCommitteeChair 10.40Big&data&and&the&DialPaPMolecule&Grand& Challenge.ProfessorRichardWhitby,PIDial0a0Molecule GrandChallengeNetwork,UniversityofSouthampton 11.00Big,&broad&and&blighted&data.ProfessorJeremy G.Frey,DepartmentofChemistry,Universityof Southampton 11.20Digital&disruption&in&the&laboratory:&joinedPup& science?mrjohntrigg,automationandanalytical ManagementGroup,RSC 11.40Big&data&chemistry.ProfessorJonathanGoodman, DepartmentofChemistry,UniversityofCambridge 12.00Discussion 12.20Lunch Approaches&to&Managing&Big&Data&and&Maximising& Opportunities&& & 13.20Managing&and&searching&large&chemical&structure& data&resources.drmarkjforster,chemicalindexingunit TeamLeader,SyngentaR&D 13.40Classification:&square&pegs&and&undetermined&holes. DrJulieWilson,Reader,UniversityofYork 14.00Use&of&data&standards&and&metadata&in&information& exchange.racheluphill,earlyipanddatastrategybusiness Consultant,R&DIT,GlaxoSmithKline 14.20100&million&compounds,&100K&protein&structures,&2& million&reactions,&4&million&journal&articles,&20&million& patents&and&15&billion&substructures:&is&20tb&really&big& data?drnoelo'boyle,seniorsoftwareengineeratnextmove Software,Cambridge 14.40Dealing&with&the&wealth&of&open&source&data.DrJohn Holliday,SeniorResearchManager,InformationSchool, UniversityofSheffield 15.20Tea/Coffee 15.40Keynote:Activities&at&the&Royal&Society&of&Chemistry& to&gather,&extract&and analyze big datasets in&chemistry.dr TonyWilliams,VicePresidentofStrategic Development, Royal Society of Chemistry 3
4 February2015 Making'Molecules'to'Make' Materials' An#Exclusive#ECR#Event# Dial0a0MoleculeandoursisterGrandChallengeBeyondtheMolecule: DirectedAssemblyarejoiningforcestohostaneventexclusively&for& Early&Career&ResearchersfromacrossthetwoNetworks. Wehopetoencourageparticipantsfromawidespreadofdisciplines, including0butnotlimitedto0chemists,biochemists,chemical engineers,materialsscientists,modelers,theoreticians,experimental orinstrumentalscientists. Themeetingwillbestructuredaroundinformalactivities,withplenty ofchancestoshowoffyourresearchthroughflashpresentations, discussyourinterestsinarelaxedenvironmentanddiscoverwhat elseisgoingonacrossthenetworksandmeetnewpeopleinthe area.therewillalsobeanindustrymeetandgreatsessiontolearn whatindustrywantandhowtogetintouchwiththem,and opportunitiestospeaktofundingagencies. Therewillbenochargetoattendthemeeting,althoughparticipants willneedtomeettheirowntravelcosts.mealsandaccommodation areincluded.weanticipatethatthiseventwillbeextremelypopular andtomaximisenetworkingopportunitiesnumbersarelimited Ifyouwouldliketoattend,pleaseapplyonlineviatheDial0a0Molecule website. Applications&close&March&15&2015 ECR'saredefinedasResearchFellowsandAcademicStaffinthefirst threeyearsoftheirfirstacademicappointment DialLaLMolecule' Steering'Group' PI:ProfRichardWhitby UniversityofSouthampton) CoPI:ProfSteveMarsden UniversityofLeeds) CoPI:ProfDavidHarrowven UniversityofSouthampton) DrRobinAttrillGSK) DrJohnCloughSyngenta) ProfAsteriosGavriilidisUCL) DrIainGladwellPfizer) DrMimiHii ImperialCollegeLondon) DrDavidHollinshead STBAssociates) ProfJohnLeonard RSC/AstraZeneca) DrHarrisMakatsoris BrunelUniversity) MrSimonRushworthKTN) DrAndrewRussell UniversityofReading) MsNatashaRichardsonEPSRC) DrGillianSmith GillianSmithAssociates) ProfJoeSweeney UniversityofHuddersfield) DrMattTozerPeakdaleMolecularLtd) ProfNickTurner UniversityofManchester) 19L20'May'2015,'Weetwood'Hall' Conference'Centre'and'Hotel,'Leeds
February2015 Dial0a0MoleculeMobilityGrants Theactivityaimstopromoteinter0disciplinaryandacademic0 industrycollaborationsbyfundingtravelandaccommodation forshorttermvisitsandexchanges.thesemayinvolve severalpeopleandmorethanonevisit.weexpectatypical awardtobe 102000andweaimtofundupto40exchanges over3yrs.applicationsmaybemadeatanytimeandweaim toturn0aroundin<1month. Foranapplicationform,pleasevisittheresourcestabat www.dial0a0molecule.org LoremIpsumDolor [Recipient] Catalytic'Sustainability'in'the'Future' Meeting#Report# EventOrganisers:DrDavidMills&DrKellyKilpin TheUniversityofManchester,SchoolofChemistry, hostedthedial0a0moleculeevent"catalytic SustainabilityintheFuture"intheEllenWilkinson building,lecturetheatrec5.1,on13thfebruary2015 from110001900.eightypeopleregisteredforand attendedtheevent. TheConferenceconsistedofeighttalks,acrossabroad rangeofsubjectsthatencompassedthethemeof catalyticsustainability,splitintothreesessions:after anintroductionbyprof&steve&marsdenleeds),the plenarylecturewasdeliveredbyprof.&laurent&maron Toulouse),whodiscussedthepotentialforf0element complexesinthecatalyticactivationofenvironmentally relevantsmallmolecules.prof.&igor&larrosa Manchester)kindlysteppedinatthelastminuteand discussedselectivec Hactivationchemistryatthe meta0positionofaromaticringswithlated0transition metalcatalysts. Dr&Jonathan&MoseleyCatScILtd)gaveatalkon probingreactionmechanismstoidentifyby0products andthereforemodifyreactionconditionstoincrease yieldsanddr&bao&nguyenleeds)discussedhowx0ray absorptiontechniquescanbeappliedtoprobereaction mechanisms.dr&mimi&hiiimperial)gaveatalkon mechanisticinvestigationscoupledwithadiscussionon thesuitabilityofbatchandflowprocessesanddr& Katherine&WheelhouseGSK)concludedthesession bygivinganindustrialinsightonpreciousmetal catalysisandthedevelopmentofcatalyticprocessesby non0preciousmetalsystems. Prof.&Matthew&DavidsonBath)discussedearly transitionmetalcatalysis,focusingonhafniumand zirconiumpolymerisationsystemsmediatingbio0 polymerformationandprof.&david&procter Manchester)concludedtheformalprogrambyspeaking aboutcopper0catalysedc Cbond0formingreactionsand thepotentialofusingsamariumii)systemsincatalytic processes. Thesespeakersweresupportedbyelevenflash presentations:drmatthewedmundsonedinburgh),dr FabrizioOrtuManchester),DrRebeccaMelenCardiff), DrThomasChamberlainNottingham),MrBenjamin ZelenayImperial),DrG.RichardStevensonUEA),Dr SaraEvangelistiUCL),DrDavidMillsManchester),Dr JasonCampHuddersfield),DrJamesWaltonDurham) anddrdanieleleonorimanchester). Followingtheoralprogrammeapostersessionwith refreshmentswasheldinthefoyerofthechemistry Building,with20posterspresented.Feedbackforthe eventwasverypositiveandwethankthespeakersfor givingavariedandentertainingprogramme. DPM&KJK