Development and validation of proton track-structure model applicable to arbitrary materials

A novel transport algorithm performing proton track-structure calculations in arbitrary materials was developed. Unlike conventional algorithms, which are based on the dielectric function of the target material, our algorithm uses a total stopping power formula and single-differential cross sections of secondary electron production. The former was used to simulate energy dissipation of incident protons and the latter was used to consider secondary electron production. In this algorithm, the incident proton was transmitted freely in matter until the proton produced a secondary electron. The corresponding ionising energy loss was calculated as the sum of the ionisation energy and the kinetic energy of the secondary electron whereas the non-ionising energy loss was obtained by subtracting the ionising energy loss from the total stopping power. The most remarkable attribute of this model is its applicability to arbitrary materials, i.e. the model utilises the total stopping power and the single-differential cross sections for secondary electron production rather than the material-specific dielectric functions. Benchmarking of the stopping range, radial dose distribution, secondary electron energy spectra in liquid water, and lineal energy in tissue-equivalent gas, against the experimental data taken from literature agreed well. This indicated the accuracy of the present model even for materials other than liquid water. Regarding microscopic energy deposition, this model will be a robust tool for analysing the irradiation effects of cells, semiconductors and detectors.

Development and Validation of Proton Track Structure Model Applicable to Arbitrary Materials

A novel transport algorithm performing proton track-structure calculations in arbitrary materials was developed. Unlike conventional algorithms, which are based on the dielectric function of the target material, our algorithm uses a total stopping power formula and single-differential cross sections of secondary electron production. The former was used to simulate energy dissipation of incident protons and the latter was used to consider secondary electron production. In this algorithm, the incident proton was transmitted freely in matter until the proton produced a secondary electron. The corresponding ionising energy loss was calculated as the sum of the ionisation energy and the kinetic energy of the secondary electron whereas the non-ionising energy loss was obtained by subtracting the ionising energy loss from the total stopping power. The most remarkable attribute of this model is its applicability to arbitrary materials, i.e. the model utilises the total stopping power and the single-differential cross sections for secondary electron production rather than the material-specific dielectric functions. Benchmarking of the stopping range, radial dose distribution, secondary electron energy spectra in liquid water, and lineal energy in tissue-equivalent gas, against the experimental data taken from literature agreed well. This indicated the accuracy of the present model even for materials other than liquid water. Regarding microscopic energy deposition, this model will be a robust tool for analysing the irradiation effects of cells, semiconductors and detectors.

A system-oriented strategy to enhance electron production of Synechocystis sp. PCC6803 in bio-photovoltaic devices: experimental and modeling insights

Bio-photovoltaic devices (BPVs) harness photosynthetic organisms to produce bioelectricity in an eco-friendly way. However, their low energy efficiency is still a challenge. A comprehension of metabolic constraints can result in finding strategies for efficiency enhancement. This study presents a systemic approach based on metabolic modeling to design a regulatory defined medium, reducing the intracellular constraints in bioelectricity generation of Synechocystis sp. PCC6803 through the cellular metabolism alteration. The approach identified key reactions that played a critical role in improving electricity generation in Synechocystis sp. PCC6803 by comparing multiple optimal solutions of minimal and maximal NADH generation using two criteria. Regulatory compounds, which controlled the enzyme activity of the key reactions, were obtained from the BRENDA database. The selected compounds were subsequently added to the culture media, and their effect on bioelectricity generation was experimentally assessed. The power density curves for different culture media showed the BPV fed by Synechocystis sp. PCC6803 suspension in BG-11 supplemented with NH4Cl achieved the maximum power density of 148.27 mW m−2. This produced power density was more than 40.5-fold of what was obtained for the BPV fed with cyanobacterial suspension in BG-11. The effect of the activators on BPV performance was also evaluated by comparing their overpotential, maximum produced power density, and biofilm morphology under different conditions. These findings demonstrated the crucial role of cellular metabolism in improving bioelectricity generation in BPVs.

A system-oriented strategy to enhance electron production of Synechocystis sp. PCC6803 in bio-photovoltaic devices: experimental and modeling insights

Bio-photovoltaic devices (BPVs) harness photosynthetic organisms to produce bioelectricity in an eco-friendly way. However, their low energy efficiency is still a challenge. A comprehension of metabolic constraints can result in finding strategies for efficiency enhancement. This study presents a systemic approach based on metabolic modeling to design a regulatory defined medium, reducing the intracellular constraints in bioelectricity generation of Synechocystis sp. PCC6803 through the cellular metabolism alteration. The approach identified key reactions that played a critical role in improving electricity generation in Synechocystis sp. PCC6803 by comparing multiple optimal solutions of minimal and maximal NADH generation using two criteria. Regulatory compounds, which controlled the enzyme activity of the key reactions, were obtained from the BRENDA database. The selected compounds were subsequently added to the culture media, and their effect on bioelectricity generation was experimentally assessed. The power density curves for different culture media showed the BPV fed by Synechocystis sp. PCC6803 suspension in BG-11 supplemented with NH4Cl achieved the maximum power density of 148.27 mW m-2. This produced power density was more than 40.5-fold of what was obtained for the BPV fed with cyanobacterial suspension in BG-11. The effect of the activators on BPV performance was also evaluated by comparing their overpotential, maximum produced power density, and biofilm morphology under different conditions. These findings demonstrated the crucial role of cellular metabolism in improving bioelectricity generation in BPVs.

A system-oriented strategy to enhance electron production of Synechocystis sp. PCC6803 in bio-photovoltaic devices: experimental and modeling insights

Bio-photovoltaic devices (BPVs) harness photosynthetic organisms to produce bioelectricity in an eco-friendly way. However, their low energy efficiency is still a challenge. A comprehension of metabolic constraints can result in finding strategies for efficiency enhancement. This study presents a systemic approach based on metabolic modeling to design a regulatory defined medium, reducing the intracellular constraints in bioelectricity generation of Synechocystis sp. PCC6803 through the cellular metabolism alteration. The approach identified key reactions that played a critical role in improving electricity generation in Synechocystis sp. PCC6803 by comparing multiple optimal solutions of minimal and maximal NADH generation using two criteria. Regulatory compounds, which controlled the enzyme activity of the key reactions, were obtained from the BRENDA database. The selected compounds were subsequently added to the culture media, and their effect on bioelectricity generation was experimentally assessed. The power density curves for different culture media showed the BPV fed by Synechocystis sp. PCC6803 suspension in BG-11 supplemented with NH4Cl achieved the maximum power density of 148.27 mW m-2. This produced power density was more than 40.5-fold of what was obtained for the BPV fed with cyanobacterial suspension in BG-11. The effect of the activators on BPV performance was also evaluated by comparing their overpotential, maximum produced power density, and biofilm morphology under different conditions. These findings demonstrated the crucial role of cellular metabolism in improving bioelectricity generation in BPVs.