SOPHE Computation on Alanine Single Crystal EPR Spectra
Simulation of X-band first-derivative continuous-wave electron paramagnetic resonance (CW-EPR) experimental spectra of -irradiated ℓ-α-alanine single crystal has been carried out. The aim was to confirm the existence of radical induced by irradiation in the system. A SOPHE computer simulation softw...
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| Format: | Article |
| Language: | English |
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Universitas Negeri Surabaya
2016-11-01
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| Series: | Jurnal Penelitian Fisika dan Aplikasinya |
| Online Access: | https://journal.unesa.ac.id/index.php/jpfa/article/view/145 |
| _version_ | 1828874451898335232 |
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| author | Frida U Ermawati |
| author_facet | Frida U Ermawati |
| author_sort | Frida U Ermawati |
| collection | DOAJ |
| description | Simulation of X-band first-derivative continuous-wave electron paramagnetic resonance (CW-EPR) experimental spectra of -irradiated ℓ-α-alanine single crystal has been carried out. The aim was to confirm the existence of radical induced by irradiation in the system. A SOPHE computer simulation software suite (v. 1.1.3) was utilized for that purpose. Six different X-band spectra measured from a number of defined crystal orientations to the external magnetic field B were recorded and simulated. The “axial” spectra (refer to the simulated spectra when the external B field was parallel to the crystal axes and that was measured at room temperature) confirm the simultaneous presence of the SAR, R2 and R3
radicals with the appropriate proportions. The “planar” spectra (refer to the simulated spectra when the B field was on the crystal planes), however, do not exactly fit to the experimental spectra. Together with the simulation outcomes, the problems that appear during the work, as well as the solutions proposed to overcome those problems are discussed.
Keywords: ℓ-α-alanine, SAR, Computer simulation, SOPHE, Xepr. |
| first_indexed | 2024-12-13T07:37:25Z |
| format | Article |
| id | doaj.art-7bd07f49ea28418db5c57ea32dc631f4 |
| institution | Directory Open Access Journal |
| issn | 2087-9946 2477-1775 |
| language | English |
| last_indexed | 2024-12-13T07:37:25Z |
| publishDate | 2016-11-01 |
| publisher | Universitas Negeri Surabaya |
| record_format | Article |
| series | Jurnal Penelitian Fisika dan Aplikasinya |
| spelling | doaj.art-7bd07f49ea28418db5c57ea32dc631f42022-12-21T23:55:03ZengUniversitas Negeri SurabayaJurnal Penelitian Fisika dan Aplikasinya2087-99462477-17752016-11-011168SOPHE Computation on Alanine Single Crystal EPR SpectraFrida U Ermawati0Physics Dept. Surabaya State UniversitySimulation of X-band first-derivative continuous-wave electron paramagnetic resonance (CW-EPR) experimental spectra of -irradiated ℓ-α-alanine single crystal has been carried out. The aim was to confirm the existence of radical induced by irradiation in the system. A SOPHE computer simulation software suite (v. 1.1.3) was utilized for that purpose. Six different X-band spectra measured from a number of defined crystal orientations to the external magnetic field B were recorded and simulated. The “axial” spectra (refer to the simulated spectra when the external B field was parallel to the crystal axes and that was measured at room temperature) confirm the simultaneous presence of the SAR, R2 and R3 radicals with the appropriate proportions. The “planar” spectra (refer to the simulated spectra when the B field was on the crystal planes), however, do not exactly fit to the experimental spectra. Together with the simulation outcomes, the problems that appear during the work, as well as the solutions proposed to overcome those problems are discussed. Keywords: ℓ-α-alanine, SAR, Computer simulation, SOPHE, Xepr.https://journal.unesa.ac.id/index.php/jpfa/article/view/145 |
| spellingShingle | Frida U Ermawati SOPHE Computation on Alanine Single Crystal EPR Spectra Jurnal Penelitian Fisika dan Aplikasinya |
| title | SOPHE Computation on Alanine Single Crystal EPR Spectra |
| title_full | SOPHE Computation on Alanine Single Crystal EPR Spectra |
| title_fullStr | SOPHE Computation on Alanine Single Crystal EPR Spectra |
| title_full_unstemmed | SOPHE Computation on Alanine Single Crystal EPR Spectra |
| title_short | SOPHE Computation on Alanine Single Crystal EPR Spectra |
| title_sort | sophe computation on alanine single crystal epr spectra |
| url | https://journal.unesa.ac.id/index.php/jpfa/article/view/145 |
| work_keys_str_mv | AT fridauermawati sophecomputationonalaninesinglecrystaleprspectra |