Author: Jung, Seongmoon ; Solomon, Rukundo ; Park, Jong In ; Kim, In Jung ; Kim, Yunho ; Agassy, F Okky ; Sung, Young-Min ; Yi, Chul-Young ; Choi, Sang Hyun

PURPOSEThis study aims to evaluate a modified formalism for electron beam reference dosimetry and to compare the results with the cases of previous protocols TG-51 and TRS-398.METHODSMeasurements were performed using three types of cylindrical chambers (TW30013, FC65-G, and A1SL) and plane-parallel chambers (PPC) (Roos, Advanced Markus, and NACP-02) with electron beams of energies 6, 12, and 18 MeV. Absorbed dose to water at the reference depths was determined following the modified formalism using different chambers and methods, including the direct application of ⁶⁰Co calibration or cross-calibration for PPCs in a high-energy electron beam. Data were also analyzed following TG-51 and TRS-398 formalisms for comparison.RESULTSFollowing the modified formalism, all the results obtained using cylindrical chambers, ⁶⁰Co calibrated well-guarded PPCs and cross-calibrated PPCs were in good agreement within the estimated uncertainty (0.7 - 0.9 %) at all the energies. However, one PPC exhibited strange behavior, producing 3 % higher doses when applying ⁶⁰Co calibration. This was confirmed due to chamber-to-chamber variation in P_wall. The modified formalism showed good agreement with TG-51 and TRS-398, but yielded consistently higher doses. The difference was reduced by applying the updated EPOM (effective point of measurement) shift to the previous protocols.CONCLUSIONSThis study supports the reliability of the modified formalism for electron beam reference dosimetry with chambers calibrated under ⁶⁰Co, thereby reducing uncertainty. The modified formalism yielded consistent results within smaller uncertainty (0.7 - 0.9 %). However, it is recommended to check each PPC's chamber-to-chamber variation.

01 May 2023·Combinatorial Chemistry & High Throughput Screening

In silico Identification of Novel SARS-CoV-2 Main Protease and Nonstructural Protein 13 (nsp13) Inhibitors through Consensus Docking and Free Binding Energy Calculations

Article

Author: Zlatkov, Alexander ; Mateev, Emilio ; Georgieva, Maya

Background:A new strain of a novel disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has been recently declared a pandemic by the World Health Organization (WHO). The virus results in significant mortality and morbidity across the planet; therefore, novel treatments are urgently required. Recently deposited crystallographic structures of SARS-CoV-2 proteins have ignited the interest in virtual screenings of large databases.Objective:In the current study, we evaluated the inhibitory capacity of the IMPPAT phytochemical database (8500 compounds) and the SuperDRUG2 dataset (4000 compounds) in SARS-CoV-2 main protease and helicase Nsp13 through consensus-based docking simulations.Methods:Glide and GOLD 5.3 were implemented in the in silico process. Further MM/GBSA calculations of the top 10 inhibitors in each protein were carried out to investigate the binding free energy of the complexes. An analysis of the major ligand-protein interactions was also conducted.Results:After the docking simulations, we acquired 10 prominent phytochemicals and 10 FDAapproved drugs capable of inhibiting Nsp5 and Nsp13. Delphinidin 3,5,3'-triglucoside and hirsutidin 3-O-(6-O-p-coumaroyl)glucoside demonstrated the most favorable binding free energies against Nsp5 and Nsp13, respectively.Conclusion:In conclusion, the analysis of the results identified that the phytochemicals demonstrated enhanced binding capacities compared to the FDA-approved database.

01 May 2023·Journal of applied clinical medical physics

Technical note: Consistency of IAEA's TRS-483 and AAPM's extended TG-51 protocols for clinical reference dosimetry of the CyberKnife M6 machine.

Article

Author: Béliveau-Nadeau, Dominique ; Duchaine, Jasmine ; Zerouali, Karim ; Ley, Jean-Luc ; Bouchard, Hugo ; Doucet, Robert ; Markel, Daniel

BACKGROUNDWhile IAEA's TRS-483 code of practice is adapted for the calibration of CyberKnife machines, AAPM's TG-51 is still the protocol recommended by the manufacturer for their calibration. The differences between both protocols could lead to differences in absorbed dose to water during the calibration process.PURPOSEThe aims of this work are to evaluate the difference resulting from the application of TG-51 (including the manufacturer's adaptations) and TRS-483 in terms of absorbed dose to water for a CyberKnife M6, and to evaluate the consistency of TRS-483.METHODSMeasurements are performed on a CyberKnife M6 unit under machine-specific reference conditions using a calibrated Exradin A12 ionization chamber. Monte Carlo (MC) simulations are performed to estimate __-mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"-__ k Q msr , Q 0 f msr , f ref $k_{Q_{\mathrm{msr}},Q_0}^{f_{\mathrm{msr}},f_{\mathrm{ref}}}$ and __-mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"-__ k vol $k_{\text{vol}}$ using a fully modeled detector and an optimized CyberKnife M6 beam model. The latter is also estimated experimentally. Differences between the adapted TG-51 and TRS-483 protocols are identified and their impact is quantified.RESULTSWhen using an in-house experimentally-evaluated volume averaging correction factor, a difference of 0.11% in terms of absorbed dose to water per monitor unit is observed when applying both protocols. This disparity is solely associated to the difference in beam quality correction factor. If a generic volume averaging correction factor is used during the application of TRS-483, the difference in calibration increases to 0.14%. In both cases, the disparity is not statistically significant according to TRS-483's reported uncertainties on their beam quality correction factor (i.e., 1%). MC results lead to __-mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"-__ k Q msr , Q 0 f msr , f ref = 1.0004 ± 0.0002 $k_{Q_{\mathrm{msr}},Q_0}^{f_{\mathrm{msr}},f_{\mathrm{ref}}}=1.0004\pm 0.0002$ and __-mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"-__ k vol = 1.0072 ± 0.0009 $k_{\text{vol}}=1.0072\pm 0.0009$ . Results illustrate that the generic beam quality correction factor provided in the TRS-483 might be overestimated by 0.36% compared to our specific model and that this overestimation could be due to the volume averaging component.CONCLUSIONSFor clinical reference dosimetry of the CyberKnife M6, the application of TRS-483 is found to be consistent with TG-51.

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