Resonant X-ray Enhancement of the Auger Effect in High-Z Atoms, Molecules, and Nanoparticles: Potential Biomedical Applications

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 113; no. 45; pp. 12356 - 12363
• Main Authors: Pradhan, Anil K, Nahar, Sultana N, Montenegro, Maximiliano, Yu, Yan, Zhang, H. L, Sur, Chiranjib, Mrozik, Michael, Pitzer, Russell M
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 12.11.2009
• Subjects: Computer Simulation; Diagnostic Imaging; Metal Nanoparticles - chemistry; Monte Carlo Method; Nanomedicine - methods; X-Rays
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp904977z

It is shown that X-ray absorption can be considerably enhanced at resonant energies corresponding to K-shell excitation into higher shells with electron vacancies following Auger emissions in high-Z elements and compounds employed in biomedical applications. We calculate Auger resonant probabilities and cross sections to obtain total mass attenuation coefficients with resonant cross sections and detailed resonance structures corresponding to Kα, Kβ, Kγ, Kδ, and Kη complexes lying between 6.4−7.1 keV in iron and 67−80 keV in gold. The basic parameters were computed using the relativistic atomic structure codes and the R-matrix codes. It is found that the average enhancement at resonant energies is up to a factor of 1000 or more for associated K → L, M, N, O, P transitions. The resonant energies in high-Z elements such as gold are sufficiently high to ensure significant penetration in body tissue, and hence the possibility of achieving X-radiation dose reduction commensurate with resonant enhancements for cancer theranostics using high-Z nanoparticles and molecular radiosensitizing agents embedded in malignant tumors. The in situ deposition of X-ray energy, followed by secondary photon and electron emission, will be localized at the tumor site. We also note the relevance of this work to the development of novel monochromatic or narrow-band X-ray emission sources for medical diagnostics and therapeutics.