BrIccEmis - Auger electron X-ray yields for medical applications

Tibor Kibèdi

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna

Atomic ionization and relaxation

Vacancy cascade in Xe (Z=54)

K

O1,2,3

L1

L2

L3

M1

M2

M3

M4,5

N1

N2,3

N4,5

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, a-decay, b-

decay

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna

Ionization – initial vacancy creation

X-ray (radiative) transition – dominates when vacancy on the inner shell

Auger and Coster-Kronig (Non-Radiative) transition - dominates when vacancy on the outer shell; extra vacancy created

Many possible cascades for a single initial vacancy

Typical relaxation time ~10-15 seconds

Initial vacancy

K

O1,2,3

L1

L2

L3

M1

M2

M3

M4,5

N1

N2,3

N4,5

X

AA

AAA

KC

AAAAAA

AA

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 University NSDD April 2015, IAEA, Vienna

SPECT image 24 hours after administering 1527 MBq 111In-DTPA-hEGFR

First clinical try of 111In-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 cancerKatherine A. Vallis, et al. Am J Nucl Med Mol Imaging 4 (2014) 181Gray Ins. for Radiation Oncology and Biology, Univ. of Oxford, Oxford, UK

111In – 370 to 2220 MBq doseDTPA - DiethyleneTriamine Pentaacetic AcidhEGFR – Human Epidermal Growth Factor

Receptor Selected 16 cancer patients, detailed case study

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna

MIRD Dose Estimate Report No. 20D.R. Fisher, S. Shen, R.F. Merdith Nucl. Med. 50 (2009) 644Based on OLINDA/EXM software (Stabin & Sparks 2005)RADAR: http://www.doseinfo-radar.com/

Nuclear and atomic radiations of medical radioisotopes

RADAR (20-Apr-2015)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna

Nuclear and atomic radiations of medical radioisotopes

NUDAT (20-Apr-2015)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD 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 University NSDD 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 University NSDD 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 2010-2012 BrIccEmis (with Boon Lee, ANU, 2012Le09) 2013 ND-Korea: ANU-ANL-Surrey collaboration

Nuclear structure evaluations: completed 103Pd/103Rhm and

111In/111Cdm, on-going for 99Mo/99Tcm 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 University NSDD April 2015, IAEA, Vienna

85Sr EC – improved KLL Auger spectrum (B. Lee, ANU)

KL1L2/KL1L1

Exp. EADL MCDHF

2.21(13) 1.12 2.15

Boon Quan Lee, Dep. Of Nuclear Physics, Australian National University PhD Mid-Term Seminar, 3 March 2015

111In EC decaywith Per & Jӧrgen (Malmӧ) and Jose Marques (Lisbon)

Missing transitions in EADL-high µen/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 University NSDD 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)

111In EC decay with P. Jönsson & J. Ekman (Malmӧ) and J. Marques

(Lisbon)

Slide courtesy of Boon Lee (ANU)

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD April 2015, IAEA, Vienna

Atomic Data in ENSDF

BrIccEmis (Dec-2014) 1 M

decays

Australian National University, AustraliaAndrew StuchberyBoon Q. LeeMarteen VosTamάs TornyiKalman Robertson

University NSW/ADFA, AustraliaHeiko Timmers

Argonne National Laboratory, USAFilip KondevProject funded for 2014-2016 by the

Australian Research Council, DP140103317

Collaborators

Malmö University, Malmö, Sweden Per JönssonJörgen Ekman

University Surrey, UKAlan Nichols

University of Lisbon, Lisbon, PortugalJosé Manuel Pires MarquesKarolinska Institutet, Stockholm, Sweden Hooshang Nikjoo

Joint Institute for Nuclear ResearchAlois KovalikАnvar Inoyatov

Tibor Kibèdi, Dep. of Nuclear Physics, Australian National University NSDD 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) 01002 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) 025402.• B.Q. Lee, T. Kibédi and A.E. Stuchbery, “Auger yield calculations for medical radioisotopes”, EPJ Web of

Conferences (in press).