Bulletin of ANPA

Abstract submitted to ANPA Conference July 14–16, 2023

Volume 5, Number 1

Biological, Medical, Soft Matter and Chemical Physics
Abstract ID: ANPA2023-N00031

Abstract:

ANPA2023-N00031: Behavior of muon in derivatives of hemoglobin: a DFT study

Authors:

  • Roshan Pudasaini; Kathmandu University
  • Dr. Amba Datt Pant; Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan
  • Dr. Rajendra Prasad Adhikari; Kathmandu Univeristy, Dhulikhel, Kavre, Nepal

Behavior of muon in derivatives of hemoglobin: a DFT study Roshan Pudasaini1, Amba Datt Pant2,3, Rajendra Prasad Adhikari1 1Kathmandu University, Dhulikhel, Kavre, Nepal, 2Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki 305-0801, Japan, 3Muon Section, Materials and Life Science Division, J-PARC center, 2-4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195, Japan Email: roshanpudasaini879@gmail.com There are various methods to detect low oxygen levels or hypoxia in tumor/cancer such as positron emission tomography, magnetic resonance imaging, electron paramagnetic resonance, and pulse oximetry with their limitations as mentioned by Tatum et al [1] and Conner et al [2]. A noninvasive technique is necessary to detect hypoxia and assess its existence, extent, and spatial distribution within a tumor. In order to develop a noninvasive tool for the diagnosis and treatment of cancer, we propose a muon method and detected the molecular oxygen in water and dilute aqueous biological solutions (Hb, TBS, albamin, serum)[3][4]. To interpret the muon experimental data, theoretical study is necessary to understand the stopping sites and charge states of injected muon into biomolecules. Here, we present density functional theory calculations to estimate the stopping sites, charge states and interaction of muon with nearby molecules in derivatives of hemoglobin. Muon is a like a light proton with mass around 1/9 of that of a proton. Since the muon's gyromagnetic ratio is around three times greater than that of the proton, it has higher sensitivity with respect to proton to magnetic field. Muonium on the other hand, is bound state of two lepton particles - positive muon and an electron with similar chemical properties of H atom [5]. Relaxation rate of Mu due to spin exchange interaction with O2 provides the information about the existence of O2 in the solutions [6]. Based on minimum potential energy, we found the stopping site of the muonium in the heme group of DeoxyHb, OxyHb, and CoHb around the nitrogen atom of the imidazole ring of histidine. In the program, the precise locations of the muon with the specific charge states in derivatives of hemoglobin will be presented. Reference: [1] J. L. Tatum, Int. J. Radiat. Biol., 82 (2006) 699–757. [2] J. P. O’Connor et al., Cancer Res., 76 (2016) 787–795. [3] A. D. Pant et al., Nucl. Instrum. Methods Phys. Res. A, 1011 (2021) 165561. [4] A. Pant et. al., Journal of Physics: Conference Series, 551 (2014) 012043. [5]　K. Nagamine, Introductory muon science, Cambridge University Press, 2003. [6]　A. D. Pant, J. Nepal Phys. Soc., 4 (2017) 7–10.

To cite this abstract, use the following reference: https://anpaglobal.org/conference/2023/ANPA2023-N00031