biological and medical physics, biomedical engineering Forfurthervolumes: http://www.springer.com/series/3740 biological and medical physics, biomedical engineering Thefieldsofbiologicalandmedicalphysicsandbiomedicalengineeringarebroad,multidisciplinaryand dynamic.Theylieatthecrossroadsoffrontierresearchinphysics,biology,chemistry,andmedicine.The BiologicalandMedicalPhysics,BiomedicalEngineeringSeriesisintendedtobecomprehensive,coveringa broadrangeoftopicsimportanttothestudyofthephysical,chemicalandbiologicalsciences.Itsgoalisto providescientistsandengineerswithtextbooks,monographs,andreferenceworkstoaddressthegrowing needforinformation. Booksintheseriesemphasizeestablishedandemergentareasofscienceincludingmolecular,membrane, andmathematicalbiophysics;photosyntheticenergy harvestingandconversion; informationprocessing; physicalprinciplesofgenetics;sensorycommunications;automatanetworks,neuralnetworks,andcellular automata.Equally importantwill be coverage of applied aspects of biologicaland medical physics and biomedicalengineeringsuchasmolecularelectroniccomponentsanddevices,biosensors,medicine,imag- ing,physicalprinciplesofrenewableenergyproduction,advancedprostheses,andenvironmentalcontroland engineering. Editor-in-Chief: EliasGreenbaum,OakRidgeNationalLaboratory,OakRidge,Tennessee,USA EditorialBoard: MasuoAizawa,DepartmentofBioengineering, MarkS.Humayun,DohenyEyeInstitute, TokyoInstituteofTechnology,Yokohama,Japan LosAngeles,California,USA OlafS.Andersen,DepartmentofPhysiology, PierreJoliot,InstitutedeBiologie Biophysics&MolecularMedicine, Physico-Chimique,FondationEdmond CornellUniversity,NewYork,USA deRothschild,Paris,France RobertH.Austin,DepartmentofPhysics, LajosKeszthelyi,InstituteofBiophysics,Hungarian PrincetonUniversity,Princeton,NewJersey,USA AcademyofSciences,Szeged,Hungary JamesBarber,DepartmentofBiochemistry, RobertS.Knox,DepartmentofPhysics ImperialCollegeofScience,Technology andAstronomy,UniversityofRochester,Rochester, andMedicine,London,England NewYork,USA HowardC.Berg,DepartmentofMolecular AaronLewis,DepartmentofAppliedPhysics, andCellularBiology,HarvardUniversity, HebrewUniversity,Jerusalem,Israel Cambridge,Massachusetts,USA StuartM.Lindsay,DepartmentofPhysics VictorBloomfield,DepartmentofBiochemistry, andAstronomy,ArizonaStateUniversity, UniversityofMinnesota,St.Paul,Minnesota,USA Tempe,Arizona,USA RobertCallender,DepartmentofBiochemistry, DavidMauzerall,RockefellerUniversity, AlbertEinsteinCollegeofMedicine, NewYork,NewYork,USA Bronx,NewYork,USA EugenieV.Mielczarek,DepartmentofPhysics StevenChu,LawrenceBerkeleyNational andAstronomy,GeorgeMasonUniversity,Fairfax, Laboratory,Berkeley,California,USA Virginia,USA LouisJ.DeFelice,DepartmentofPharmacology, MarkolfNiemz,MedicalFacultyMannheim, VanderbiltUniversity,Nashville,Tennessee,USA UniversityofHeidelberg,Mannheim,Germany JohannDeisenhofer,HowardHughesMedical V.AdrianParsegian,PhysicalScienceLaboratory, Institute,TheUniversityofTexas,Dallas, NationalInstitutesofHealth,Bethesda, Texas,USA Maryland,USA GeorgeFeher,DepartmentofPhysics, LindaS.Powers,UniversityofArizona, UniversityofCalifornia,SanDiego,LaJolla, Tucson,Arizona,USA California,USA EarlW.Prohofsky,DepartmentofPhysics, HansFrauenfelder, PurdueUniversity,WestLafayette,Indiana,USA LosAlamosNationalLaboratory, AndrewRubin,DepartmentofBiophysics,Moscow LosAlamos,NewMexico,USA StateUniversity,Moscow,Russia IvarGiaever,RensselaerPolytechnicInstitute, MichaelSeibert,NationalRenewableEnergy Troy,NewYork,USA Laboratory,Golden,Colorado,USA SolM.Gruner,CornellUniversity, DavidThomas,DepartmentofBiochemistry, Ithaca,NewYork,USA UniversityofMinnesotaMedicalSchool, JudithHerzfeld,DepartmentofChemistry, Minneapolis,Minnesota,USA BrandeisUniversity,Waltham,Massachusetts,USA Gustavo Garc´ıa Go´mez-Tejedor Martina Christina Fuss Editors Radiation Damage in Biomolecular Systems With137Figures 123 Editors Prof.GustavoGarc´ıaGo´mez-Tejedor Dr.MartinaChristinaFuss InstitutodeF´ısicaFundamental InstitutodeF´ısicaFundamental ConsejoSuperiordeInvestigaciones ConsejoSuperiordeInvestigaciones Cient´ıficas Cient´ıficas Serrano113-bis Serrano113-bis 28006Madrid 28006Madrid Spain Spain [email protected] [email protected] ISSN1618-7210 ISBN978-94-007-2563-8 e-ISBN978-94-007-2564-5 DOI10.1007/978-94-007-2564-5 SpringerDordrechtHeidelbergLondonNewYork LibraryofCongressControlNumber:2011943891 ©SpringerScience+BusinessMediaB.V.2012 Nopartofthisworkmaybereproduced,storedinaretrievalsystem,ortransmittedinanyformorby anymeans,electronic,mechanical,photocopying,microfilming,recordingorotherwise,withoutwritten permissionfromthePublisher,withtheexceptionofanymaterialsuppliedspecificallyforthepurpose ofbeingenteredandexecutedonacomputersystem,forexclusiveusebythepurchaserofthework. Printedonacid-freepaper SpringerispartofSpringerScience+BusinessMedia(www.springer.com) Contents Preface............................................................................. ix Acronyms ......................................................................... xi PartI RadiationInducedDamageattheMolecularLevel 1 NanoscaleDynamicsofRadiosensitivity:RoleofLow EnergyElectrons............................................................ 3 Le´onSanche 2 TheRoleofSecondaryElectronsinRadiationDamage ............... 45 StephanDenifl,TilmannD.Ma¨rk,andPaulScheier 3 Electron Transfer-Induced Fragmentation in(Bio)MoleculesbyAtom-MoleculeCollisions ........................ 59 PauloLima˜o-Vieira,FilipeFerreiradaSilva, andGustavoGarc´ıaGo´mez-Tejedor 4 FollowingResonantCompoundStatesafterElectronAttachment... 71 AnaG.Sanz,FrancescoSebastianelli, andFrancescoA.Gianturco 5 Electron–BiomoleculeCollisionStudiesUsing theSchwingerMultichannelMethod..................................... 87 CarlWinsteadandVincentMcKoy 6 ResonancesinElectronCollisionswithSmallBiomolecules UsingtheR-MatrixMethod............................................... 115 LiliannaBryjko,AmarDora,TanjavanMourik, andJonathanTennyson 7 AMultiple-ScatteringApproachtoElectronCollisions withSmallMolecularClusters............................................ 127 JimenaD.GorfinkielandStefanoCaprasecca v vi Contents 8 PositroniumFormationandScatteringfromBiologically RelevantMolecules......................................................... 143 G.Laricchia,D.A.Cooke,andS.J.Brawley 9 TotalCrossSectionsforPositronScatteringfromBio-Molecules..... 155 LucaChiari,MichaelJ.Brunger,andAntonioZecca 10 SoftX-rayInteractionwithOrganicMolecules ofBiologicalInterest ....................................................... 165 P.Bolognesi,P.O’Keeffe,andL.Avaldi 11 Ion-InducedRadiationDamageinBiomolecularSystems............. 177 ThomasSchlatho¨lter 12 Theory and Calculationof Stopping Cross Sections ofNucleobasesforSwiftIons.............................................. 191 StephanP.A.Sauer,JensOddershede,andJohnR.Sabin PartII ModellingRadiationDamage 13 MonteCarloMethodstoModelRadiationInteractions andInducedDamage....................................................... 203 AntonioMun˜oz,MartinaC. Fuss, M.A.Corte´s-Giraldo, Se´bastienIncerti,VladimirIvanchenko,AntonIvanchenko, J.M. Quesada, Francesc Salvat, Christophe Champion, andGustavoGarc´ıaGo´mez-Tejedor 14 PositronandElectronInteractionsandTransport inBiologicalMedia......................................................... 227 Ronald White, James Sullivan, Ana Bankovic, Sasa Dujko,RobertRobson,ZoranLj.Petrovic,GustavoGarc´ıa Go´mez-Tejedor,MichaelBrunger,andStephenBuckman 15 Energy Loss of Swift ProtonsinLiquid Water:Role ofOpticalDataInputandExtensionAlgorithms....................... 239 Rafael Garcia-Molina,Isabel Abril, Ioanna Kyriakou, andDimitrisEmfietzoglou 16 Quantum-Mechanical Contributions to Numerical SimulationsofChargedParticleTransportattheDNAScale......... 263 ChristopheChampion,MarielE.Galassi,PhilippeF.Weck, OmarFojo´n,JocelynHanssen,andRobertoD.Rivarola 17 MultiscaleApproachtoRadiationDamageInducedbyIons.......... 291 AndreyV.Solov’yovandEugeneSurdutovich 18 Track-Structure Monte Carlo Modelling in X-ray andMegavoltagePhotonRadiotherapy.................................. 301 RichardP.Hugtenburg Contents vii 19 SimulationofMedicalLinearAcceleratorswithPENELOPE.......... 313 LorenzoBrualla PartIII BiomedicalAspectsofRadiationEffects 20 RepairofDNADouble-StrandBreaks................................... 329 MartinFalk,EmilieLukasova,andStanislavKozubek 21 DifferentiallyExpressedGenesAssociated withLow-DoseGammaRadiation........................................ 359 HargitaHegyesi,NikolettSa´ndor,Bogla´rkaSchilling, Eniko˝ Kis,KatalinLumniczky,andGe´zaSa´fra´ny 22 ChromosomeAberrationsbyHeavyIons................................ 371 FrancescaBallariniandAndreaOttolenghi 23 SpatialandTemporalAspectsofRadiationResponse inCellandTissueModels.................................................. 385 KevinM.PriseandGiuseppeSchettino 24 TherapeuticApplicationsofIonizingRadiations....................... 397 Mar´ıaElenaSa´nchez-Santos 25 Optimized Molecular Imaging through Magnetic ResonanceforImprovedTargetDefinitioninRadiationOncology... 411 DzˇevadBelkic´ andKarenBelkic´ PartIV Future Trends in Radiation Research anditsApplications 26 MedicalApplicationsofSynchrotronRadiation........................ 433 YolandaPrezado,ImmaculadaMart´ınez-Rovira,andtheID17 BiomedicalBeamline(ESRF) 27 PhotodynamicTherapy.................................................... 445 Sla´vkaKasˇcˇa´kova´,AlexandreGiuliani,Fre´de´ricJamme, andMatthieuRefregiers 28 AugerEmittingRadiopharmaceuticalsforCancerTherapy.......... 461 NadiaFalzone,BartCornelissen,andKatherineA.Vallis 29 UsingaMatrixApproachinNonlinearBeamDynamics forOptimizingBeamSpotSize ........................................... 479 AlexanderDymnikovandGaryGlass 30 FutureParticleAcceleratorDevelopmentsforRadiationTherapy... 491 MichaelH.HolzscheiterandNielsBassler Index............................................................................... 507 Preface Sincethediscoveryofx-raysandradioactivity,ionizingradiationshavebeenwidely applied in medicine both for diagnostic and therapy purposes. Risks associated to radiation exposure and handling led to a parallel development of the radiation protection area. For years, macroscopic magnitudes as the absorbed dose, or the energy deposited along radiation tracks, have been used in those applications to quantify radiation effects. Although this approach can be appropriate for high radiation fluxes it does not give information about low dose stochastic effects or radiation damage induced relatively distant from the irradiated regions. This motivatedsystematicstudiesofradiationdamageatthemolecularlevel.Pioneering experiments done by Sanche and co-workers in 2000 showed that low energy secondary electrons, which are abundantly generated along radiation tracks, are the main responsible for radiation damage through successive interactions with the molecular constituents of the medium. Apart from ionizing processes, which are customary related to radiation damage, below the ionization level low energy electronscaninducemolecularfragmentationviadissociativeprocessesasinternal excitation and electron attachment. These ideas prompted collaborative projects between different research groups from European countries together with other specialistsfromCanada,USAandAustralia. This book is intended to summarize some of the advances achieved by these research groups after more than ten years of studies on radiation damage in biomolecularsystems. Anextensivefirstpartdealswithrecentexperimentalandtheoreticalfindingson radiationinduceddamageonthemolecularlevel.Satisfyingtheirbroadimportance as secondary particles in radiation-matter interactions, it includes many contri- butions on electron and positron collisions with biologically relevant molecules (water, nucleobasesand other DNA/RNA building blocks, amino acids, and other polyatomicmoleculesofbiologicalinterest).Following,X-rayandioninteractions arecovered. Part II addresses different approaches to radiation damage modelling. After a generaloverviewof MonteCarlomethods,chaptercontentsfeaturesome detailed accountsofmostlytheoreticaleffortstoobtainthenecessaryinputdataonpositron, ix x Preface electron,proton,andiontransportinwaterandDNAcomponentsandtheresulting simulations. Closing this part, a sophisticated application in clinical context is presented. In thethirdpart,biomedicalaspectsofradiationeffectsare treatedondifferent scales. After an introductoryreview on DNA damagerepair,radiation-inducedal- terationsingenes,chromosomes,cellsandtissues,and,finally,thewholeorganism level (radiotherapy) are described. After the rather physics-oriented focus of the previousparts,thegradualtransitiontobiologyandmedicinewithgrowingsizeof theobjectstudiedishereillustrated. Finally, Part IV is dedicated to current trends/novel techniques in radiation research and the applications hence arising. It includes new developments in radiotherapy and related cancer therapies as well as technical optimizations of acceleratorsandtotallynewequipmentdesigns,givingaglimpseofthenearfuture ofradiation-basedmedicaltreatments. We acknowledge the Spanish Ministerio de Ciencia e Innovacio´n (Project FIS 2009-08246), Universidad Nacional de Educacio´n a Distancia and Consejo SuperiordeInvestigacionesCient´ıficasfortheirfinancialsupportformeetingsand discussionswhichmotivatedthisbook. Madrid GustavoGarc´ıaGo´mez-Tejedor MartinaChristinaFuss
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