BrIccEmis - Auger electron X-ray yields for medical applications Tibor Kibèdi Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna Atomic ionization and relaxation Vacancy cascade in Xe (Z=54) K O 1,2,3 L1L1 L2L2 L3L3 M1M1 M2M2 M3M3 M 4,5 N1N1 N 2,3 N 4,5 Initial vacancy  Ionization – initial vacancy creation  electron impact  photo ionization  ion-atom collision  Internal Conversion (IC)  Electron Capture (EC)  Secondary processes (shakeup & shakeoff) when charge particles enter or leave the nucleus: IC, EC,  - decay,  -decay

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna  Ionization – initial vacancy creation  X -ray (radiative) transition – dominates when vacancy on the inner shell  A uger and C oster- K ronig (Non- Radiative) transition - dominates when vacancy on the outer shell; extra vacancy created  Many possible cascades for a single initial vacancy  Typical relaxation time ~ seconds Initial vacancy K O 1,2,3 L1L1 L2L2 L3L3 M1M1 M2M2 M3M3 M 4,5 N1N1 N 2,3 N 4,5 X A A A A A KC A A A A A A A A M.O. Krause, J. Phys. Colloques, 32 (1971) C4-67 Vacancy cascade in Xe (Z=54) Atomic ionization and relaxation

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna SPECT image 24 hours after administering 1527 MBq 111 In-DTPA-hEGFR First clinical try of 111 In-DTPA-hEGFR Phase I trial to evaluate the tumor and normal tissue uptake, radiation dosimetry and safety of 111In-DTPA-human epidermal growth factor in patients with metastatic EGFR-positive breast cancer Katherine A. Vallis, et al. Am J Nucl Med Mol Imaging 4 (2014) 181 Gray Ins. for Radiation Oncology and Biology, Univ. of Oxford, Oxford, UK 111 In – 370 to 2220 MBq dose DTPA - DiethyleneTriamine Pentaacetic Acid hEGFR – Human Epidermal Growth Factor Receptor Selected 16 cancer patients, detailed case study

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna MIRD Dose Estimate Report No. 20 D.R. Fisher, S. Shen, R.F. Merdith Nucl. Med. 50 (2009) 644 Based on OLINDA/EXM software (Stabin & Sparks 2005) RADAR: Nuclear and atomic radiations of medical radioisotopes RADAR (20-Apr-2015)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna Nuclear and atomic radiations of medical radioisotopes NUDAT (20-Apr-2015)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna BrIccEmis – Monte Carlo approach for vacancy creation and propagation  Initial state: neutral isolated atom  Nuclear structure data: from ENSDF  Electron capture (EC) rates: Schönfeld (1998Sc28)  Internal conversion coefficients (ICC): BrIcc  Auger and X-ray transition rates: EADL (1991 Perkins)  Auger and X-ray transition energies: RAINE (2002Ba85) Calculated for actual electronic configuration!  Vacancy creation and relaxation from EC and IC: treated independently  Ab initio treatment of the vacancy propagation:  Transition energies and rates evaluated for every step  Propagation terminated once the vacancy reached the valence shell

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna Chen, et al, Phys. Rev. A 21 (1980) 442 Incorrect path in the first step !! EADL EADL need replacement Transition energies and rates calculated for single initial vacancies !!

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna BrIccEmis BrIccEmis (Dec-2014) 1 M decays

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University The Auger project NSDD April 2015, IAEA, Vienna  2011 NSDD meeting first results (Kalman Robertson, ANU)  2012 ANU joined to IAEA CRP  BrIccEmis (with Boon Lee, ANU, 2012Le09)  2013 ND-Korea: ANU-ANL-Surrey collaboration Nuclear structure evaluations: completed 103 Pd/ 103 Rh m and 111 In/ 111 Cd m, on-going for 99 Mo/ 99 Tc m  2013 Consultants' Meeting on Auger Electron Emission from Nuclear Decay: Data Needs for Medical Applications  2014 ARC grant (3 yrs)  2014 visits to Malmo, Guel, PSI, ILL  2014 Dec IAEA CRP meeting

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna 85 Sr EC – improved KLL Auger spectrum (B. Lee, ANU) KL 1 L 2 /KL 1 L 1 Exp.EADLMCDHF 2.21(13)

Boon Quan Lee, Dep. Of Nuclear Physics, Australian National UniversityPhD Mid-Term Seminar, 3 March In EC decay with Per & Jӧrgen (Malmӧ) and Jose Marques (Lisbon) Missing transitions in EADL -high µ en /ρ  Possible problem with open-shell elements (lanthanides; 4f): too many transitions; slow convergence (or never)  Step 1: DF calculations using Grasp2k/Ratip and MCDFGME  Automated scripts to calculate all transition energies and intensities Aim: Develop new data table of complete atomic transition energies and intensities for single initial vacancies (replace EADL)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna Missing transitions in EADL  Possible problem with open- shell elements (lanthanides; 4f): too many transitions; slow convergence (or never)  Step 1: DF calculations using Grasp2k/Ratip and MCDFGME  Automated scripts to calculate all transition energies and intensities Aim: Develop new data table of complete atomic transition energies and intensities for single initial vacancies (replace EADL) 111 In EC decay with P. & J. Ekman (Malm ӧ ) and J. Marques (Lisbon) 111 In EC decay with P. Jönsson & J. Ekman (Malm ӧ ) and J. Marques (Lisbon) Slide courtesy of Boon Lee (ANU)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna Atomic Data in ENSDF BrIccEmis (Dec-2014) 1 M decays

Australian National University, Australia Andrew Stuchbery Boon Q. Lee Marteen Vos Tamάs Tornyi Kalman Robertson University NSW/ADFA, Australia Heiko Timmers Argonne National Laboratory, USA Filip Kondev Project funded for by the Australian Research Council, DP Collaborators Malmö University, Malmö, Sweden Per Jönsson Jörgen Ekman University Surrey, UK Alan Nichols University of Lisbon, Lisbon, Portugal José Manuel Pires Marques Karolinska Institutet, Stockholm, Sweden Hooshang Nikjoo Joint Institute for Nuclear Research Alois Kovalik Аnvar Inoyatov Tibor Kibèdi, Dep. of Nuclear Physics, Australian National UniversityNSDD April 2015, IAEA, Vienna Recent publications  B.Q. Lee et al., “A Model to Realize the Potential of Auger Electrons for Radiotherapy” EPJ Web of Conferences 63 (2013)  A.Kh. Inoyatov et al., “Influence of host matrices on krypton electron binding energies and KLL Auger transition energies”, J. of Elect. Spec. and Rel. Phenom. 197 (2014) 64  Inoyatov et al., “Search for environmental effects on the KLL Auger spectrum of rubidium generated in radioactive decay”, Physica Scripta 90 (2015) B.Q. Lee, T. Kibédi and A.E. Stuchbery, “Auger yield calculations for medical radioisotopes”, EPJ Web of Conferences (in press).