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題名 利用NMR模擬尋找MEGA-PRESS 在GSH量化的最佳回訊時間
Determination of Optimal TE for GSH Quantification in MEGA-PRESS sequence using NMR Simulation
作者 余竣傑
Yu, Jun-Jie
貢獻者 蔡尚岳
Tsai, Shang-Yueh
余竣傑
Yu, Jun-Jie
關鍵詞 麩胱甘肽
MEGA-PRESS
回訊時間
磁共振頻譜
FID-A模擬
Glutathione
MEGA-PRESS
Echo time
Magnetic resonance spectroscopy
FID-A simulation
日期 2025
上傳時間 1-Jul-2025 15:50:14 (UTC+8)
摘要 本研究探討使用MEGA-PRESS (MEscher-GArwood Point-Resolved Spectroscopy) 技術進行麩胱甘肽 (Glutathione, GSH) 定量時的最佳回訊時間 (Echo Time, TE) 參數。GSH作為大腦內主要的抗氧化劑之一，其濃度變化與多種神經退行性疾病及精神疾病密切相關，因此準確定量GSH對於相關研究具有重要意義。 然而，在常規¹H MRS頻譜中，GSH的信號與其他代謝物訊號重疊，特別是受到肌酸 (Cr) 和磷酸肌酸 (PCr) 的干擾。雖然MEGA-PRESS技術能夠透過J差異編輯減少這類干擾，但仍面臨N-乙醯天門冬氨酸 (NAA) 和N-乙醯天門冬氨酸麩氨酸 (NAAG) 因共編輯 (Co-editing) 效應產生的干擾問題。 本研究使用FID-A (FID Appliance) 模擬工具箱，基於量子力學密度矩陣方法，模擬了不同NAA與NAAG (total NAA, tNAA)濃度以及不同組織環境條件 (不同線寬展寬值) 下的GSH+NAA+NAAG頻譜變化。研究評估GSH信號強度、負外側峰 (Negative Outer Lobes) 變化以及tNAA干擾程度三個關鍵指標，以確定最佳的TE參數。 模擬結果顯示：(1) 考慮T₂衰減影響後，GSH積分面積在TE=130 ms達到最大值；(2) GSH的負外側峰在TE=120 ms之後趨近消失，TE=130 ms時已近乎消失；(3) 在所有模擬條件下，TE=130 ms的tNAA干擾面積均小於TE=120 ms。此外，較長的TE值還允許使用更長的編輯脈衝時間 (如40 ms)，可進一步降低36.1%至50.3%的tNAA干擾。 綜合以上發現，本研究建議在使用MEGA-PRESS頻譜編輯技術定量GSH時，採用TE=130 ms作為最佳參數，可兼顧GSH信號強度、譜線品質及減少NAA與NAAG的共編輯干擾，提高GSH定量的準確性。
This study investigates the optimal echo time (TE) parameters for quantifying glutathione (GSH) using MEGA-PRESS (MEscher-GArwood Point-Resolved Spectroscopy) technique. As one of the primary antioxidants in the brain, GSH concentration changes are closely associated with various neurodegenerative and psychiatric disorders, making accurate GSH quantification crucial for related research. In conventional ¹H MRS spectra, GSH signals overlap with other metabolites, particularly creatine (Cr) and phosphocreatine (PCr). While MEGA-PRESS technique can reduce these interferences through J-difference editing, challenges remain due to co-editing effects from N-acetylaspartate (NAA) and N-acetylaspartylglutamate (NAAG). This research utilized the FID-A (FID Appliance) simulation toolkit, based on quantum mechanical density matrix methods, to simulate GSH+NAA+NAAG spectra under various tNAA(NAA+NAAG )concentrations and tissue environment conditions (different line broadening values). The study evaluated three key indicators: GSH signal intensity, negative outer lobes variation, and tNAA interference level to determine the optimal TE parameter. Simulation results demonstrated that: (1) Considering T₂ decay effects, GSH integral area reached its maximum at TE=130 ms; (2) GSH negative outer lobes approached disappearance after TE=120 ms and were almost invisible at TE=130 ms; (3) Under all simulated conditions, tNAA interference area at TE=130 ms was consistently smaller than at TE=120 ms. Additionally, longer TE values allowed for extended editing pulse durations (e.g., 40 ms), further reducing tNAA interference by 36.1% to 50.3%.Based on these findings, this study recommends TE=130 ms as the optimal parameter when quantifying GSH using MEGA-PRESS technique, balancing GSH signal strength, spectral quality, and reduced co-editing interference from NAA and NAAG, thereby improving GSH quantification accuracy.
參考文獻 [1] Rae, C. D., & Williams, S. R. (2017). "Glutathione in the human brain: Review of its roles and measurement by magnetic resonance spectroscopy." Analytical Biochemistry, 529, 127-143. https://doi.org/10.1016/j.ab.2016.12.022 [2] O'Gorman Tuura, R., Andreazza, A. C., Easter, R. E., et al. (2023). "Prefrontal glutathione levels in major depressive disorder are linked to a lack of positive affect. "Brain Sciences, 13(10), 1475. https://doi.org/10.3390/brainsci13101475 [3] Griffith, H. R., O'Brien, J. L., Salazar, R. D., et al. (2022). "Association of anterior cingulate glutathione with sleep apnea in older adults at-risk for dementia. "Sleep, 39(4), 899–906. https://doi.org/10.1093/sleep/zsw068 [4] Chen, J. J., Thiyagarajah, M., Song, J., Chen, C., Herrmann, N., Gallagher, D., … Lanctôt, K. L. (2022). Altered central and blood glutathione in Alzheimer’s disease and mild cognitive impairment: A meta-analysis. Alzheimer’s Research & Therapy, 14(23). https://doi.org/10.1186/s13195-022-00961-5 [5] Harris, A. D., Saleh, M. G., & Edden, R. A. E. (2017). " Edited 1H magnetic resonance spectroscopy in vivo: Methods and metabolites. " Magnetic Resonance in Medicine, 77(4), 1377–1389. https://doi.org/10.1002/mrm.26619 [6] Garrett, R. H., & Grisham, C. M. (2005). "Biochemistry (3rd ed.). " Belmont, CA: Brooks/Cole – Thomson Learning. [7] An, L., Zhang, Y., Thomasson, D. M., Latour, L. L., Baker, E. H., Shen, J., & Warach, S. (2009). " Measurement of glutathione in normal volunteers and stroke patients at 3T using J-difference spectroscopy with minimized subtraction errors. " Journal of Magnetic Resonance Imaging, 30(2), 263–270. https://doi.org/10.1002/jmri.21832 [8] Chan, K. L., Puts, N. A. J., Snoussi, K., Harris, A. D., Barker, P. B., & Edden, R. A. E. (2016). "Echo time optimization for J‐difference editing of glutathione at 3T. " Magnetic Resonance in Medicine, 77(2), 498–504. https://doi.org/10.1002/mrm.26122 [9] Sanaei Nezhad , F., Anton, A., Parkes, L. M., Deakin, B., & Williams, S. R. (2017). "Quantification of glutathione in the human brain by MR spectroscopy at 3 Tesla: Comparison of PRESS and MEGA-PRESS. " Magnetic Resonance in Medicine, 78(4), 1257-1266. https://doi.org/10.1002/mrm.26532 [10] Cohen-Tannoudji, C., Diu, B., & Laloë, F. (2019). "Quantum Mechanics, Volume 1: Basic Concepts, Tools, and Applications (2nd ed.). "Wiley-VCH [11] de Graaf, R. A. (2019). "In vivo NMR spectroscopy: Principles and techniques (3rd ed.). "Wiley. [12] Keeler, J. (2010). "Understanding NMR Spectroscopy (2nd ed.). " John Wiley & Sons. [13] Stagg, C. J., & Rothman, D. L. (Eds.). (Trans. Li, L., & Li, J.). (n.d.). "Magnetic resonance spectroscopy: Tools for neuroscience research and emerging clinical applications (Chinese ed.). " Beijing: Science Press. [14] Sakurai, J. J., & Napolitano, J. (2020). " Modern quantum mechanics (3rd ed.). "Cambridge University Press. [15] Wangsness, R. K., & Bloch, F. (1953). "The dynamical theory of nuclear induction. "Physical Review, 89(4), 728–739. https://doi.org/10.1103/PhysRev.89.728 [16] Lambert, J. B., Mazzola, E. P., & Ridge, C. D. (n.d.). "Nuclear magnetic resonance spectroscopy: An introduction to principles, applications, and experimental methods (2nd ed., X. Junfeng & Q. Zhou, Trans.) . " Beijing: Chemical Industry Press. [17] M. Mescher, H. Merkle, J. Kirsch, M. Garwood, and R. Gruetter, "Simultaneous in vivo spectral editing and water suppression," NMR in Biomedicine, vol. 11,pp. 266-272, 1998. [18] Chan, K. L., Puts, N. A. J., Schär, M., Barker, P. B., & Edden, R. A. E. (2016). "HERMES: Hadamard encoding and reconstruction of MEGA‐edited spectroscopy. " Magnetic Resonance in Medicine, 76(1), 11–19. https://doi.org/10.1002/mrm.26233 [19] Simpson, R., Devenyi, G. A., Jezzard, P., Hennessy, T. J., & Near, J. (2017). "Advanced processing and simulation of MRS data using the FID appliance (FID‐A)—An open-source, MATLAB-based toolkit. " Magnetic Resonance in Medicine, 77(1), 23–33. https://doi.org/10.1002/mrm.26091 [20] Simpson, R. (2016). "FID-A: Advanced processing and simulation of MRS data using the FID appliance (FID-A) Manual. "Retrieved from https://www.opensourceimaging.org/project/fid-a-advanced-processing-and-simulation-of-mr-spectroscopy/ [21] Govindaraju, V., Young, K., & Maudsley, A. A. (2000). "Proton NMR chemical shifts and coupling constants for brain metabolites. " NMR in Biomedicine, 13(3), 129-153. [22] Chan, K. L., Saleh, M. G., Oeltzschner, G., Barker, P. B., & Edden, R. A. E. (2017). "Simultaneous measurement of Aspartate, NAA, and NAAG using HERMES spectral editing at 3 Tesla. " NeuroImage, 159, 32-43. https://doi.org/10.1016/j.neuroimage.2017.04.043
描述 碩士
國立政治大學
應用物理研究所
112755010
資料來源 http://thesis.lib.nccu.edu.tw/record/#G0112755010
資料類型 thesis
dc.contributor.advisor 蔡尚岳zh_TW
dc.contributor.advisor Tsai, Shang-Yuehen_US
dc.contributor.author (Authors) 余竣傑zh_TW
dc.contributor.author (Authors) Yu, Jun-Jieen_US
dc.creator (作者) 余竣傑zh_TW
dc.creator (作者) Yu, Jun-Jieen_US
dc.date (日期) 2025en_US
dc.date.accessioned 1-Jul-2025 15:50:14 (UTC+8)-
dc.date.available 1-Jul-2025 15:50:14 (UTC+8)-
dc.date.issued (上傳時間) 1-Jul-2025 15:50:14 (UTC+8)-
dc.identifier (Other Identifiers) G0112755010en_US
dc.identifier.uri (URI) https://nccur.lib.nccu.edu.tw/handle/140.119/157884-
dc.description (描述) 碩士zh_TW
dc.description (描述) 國立政治大學zh_TW
dc.description (描述) 應用物理研究所zh_TW
dc.description (描述) 112755010zh_TW
dc.description.abstract (摘要) 本研究探討使用MEGA-PRESS (MEscher-GArwood Point-Resolved Spectroscopy) 技術進行麩胱甘肽 (Glutathione, GSH) 定量時的最佳回訊時間 (Echo Time, TE) 參數。GSH作為大腦內主要的抗氧化劑之一，其濃度變化與多種神經退行性疾病及精神疾病密切相關，因此準確定量GSH對於相關研究具有重要意義。 然而，在常規¹H MRS頻譜中，GSH的信號與其他代謝物訊號重疊，特別是受到肌酸 (Cr) 和磷酸肌酸 (PCr) 的干擾。雖然MEGA-PRESS技術能夠透過J差異編輯減少這類干擾，但仍面臨N-乙醯天門冬氨酸 (NAA) 和N-乙醯天門冬氨酸麩氨酸 (NAAG) 因共編輯 (Co-editing) 效應產生的干擾問題。 本研究使用FID-A (FID Appliance) 模擬工具箱，基於量子力學密度矩陣方法，模擬了不同NAA與NAAG (total NAA, tNAA)濃度以及不同組織環境條件 (不同線寬展寬值) 下的GSH+NAA+NAAG頻譜變化。研究評估GSH信號強度、負外側峰 (Negative Outer Lobes) 變化以及tNAA干擾程度三個關鍵指標，以確定最佳的TE參數。 模擬結果顯示：(1) 考慮T₂衰減影響後，GSH積分面積在TE=130 ms達到最大值；(2) GSH的負外側峰在TE=120 ms之後趨近消失，TE=130 ms時已近乎消失；(3) 在所有模擬條件下，TE=130 ms的tNAA干擾面積均小於TE=120 ms。此外，較長的TE值還允許使用更長的編輯脈衝時間 (如40 ms)，可進一步降低36.1%至50.3%的tNAA干擾。 綜合以上發現，本研究建議在使用MEGA-PRESS頻譜編輯技術定量GSH時，採用TE=130 ms作為最佳參數，可兼顧GSH信號強度、譜線品質及減少NAA與NAAG的共編輯干擾，提高GSH定量的準確性。zh_TW
dc.description.abstract (摘要) This study investigates the optimal echo time (TE) parameters for quantifying glutathione (GSH) using MEGA-PRESS (MEscher-GArwood Point-Resolved Spectroscopy) technique. As one of the primary antioxidants in the brain, GSH concentration changes are closely associated with various neurodegenerative and psychiatric disorders, making accurate GSH quantification crucial for related research. In conventional ¹H MRS spectra, GSH signals overlap with other metabolites, particularly creatine (Cr) and phosphocreatine (PCr). While MEGA-PRESS technique can reduce these interferences through J-difference editing, challenges remain due to co-editing effects from N-acetylaspartate (NAA) and N-acetylaspartylglutamate (NAAG). This research utilized the FID-A (FID Appliance) simulation toolkit, based on quantum mechanical density matrix methods, to simulate GSH+NAA+NAAG spectra under various tNAA(NAA+NAAG )concentrations and tissue environment conditions (different line broadening values). The study evaluated three key indicators: GSH signal intensity, negative outer lobes variation, and tNAA interference level to determine the optimal TE parameter. Simulation results demonstrated that: (1) Considering T₂ decay effects, GSH integral area reached its maximum at TE=130 ms; (2) GSH negative outer lobes approached disappearance after TE=120 ms and were almost invisible at TE=130 ms; (3) Under all simulated conditions, tNAA interference area at TE=130 ms was consistently smaller than at TE=120 ms. Additionally, longer TE values allowed for extended editing pulse durations (e.g., 40 ms), further reducing tNAA interference by 36.1% to 50.3%.Based on these findings, this study recommends TE=130 ms as the optimal parameter when quantifying GSH using MEGA-PRESS technique, balancing GSH signal strength, spectral quality, and reduced co-editing interference from NAA and NAAG, thereby improving GSH quantification accuracy.en_US
dc.description.tableofcontents 摘要 1 目次 4 表錄 6 圖錄 7 第一章緒論 9 1.1麩胱甘肽 9 1.2 研究動機 10 第二章理論 12 2.1 核磁共振原理 12 2.2磁共振頻譜 16 2.3 J差異編輯 17 2.3.1密度運算子 18 2.3.2理論預測最佳編輯TE值 24 2.3.3負外側鋒 27 2.3.4 GSH的ABX自旋系統 28 2.4 MEGA-PRESS 29 2.4.1 GSH 29 2.4.2 NAA 和 NAAG 的共編輯影響 33 第三章實驗方法設計 38 3.1 FID-A 簡介 38 3.1.1 sim_megapress_shapedEdit 38 3.2 MEGA-PRESS 模擬設定 39 3.2.1代謝物濃度與T2* 40 3.3模擬過程 41 第四章結果 44 4.1 SI_GSH 44 4.2 NOLs-RI 44 4.3 IA_tNAA 44 4.4延長選擇性脈衝時間 49 第五章結論 53 參考文獻 58zh_TW
dc.format.extent 4135156 bytes-
dc.format.mimetype application/pdf-
dc.source.uri (資料來源) http://thesis.lib.nccu.edu.tw/record/#G0112755010en_US
dc.subject (關鍵詞) 麩胱甘肽zh_TW
dc.subject (關鍵詞) MEGA-PRESSzh_TW
dc.subject (關鍵詞) 回訊時間zh_TW
dc.subject (關鍵詞) 磁共振頻譜zh_TW
dc.subject (關鍵詞) FID-A模擬zh_TW
dc.subject (關鍵詞) Glutathioneen_US
dc.subject (關鍵詞) MEGA-PRESSen_US
dc.subject (關鍵詞) Echo timeen_US
dc.subject (關鍵詞) Magnetic resonance spectroscopyen_US
dc.subject (關鍵詞) FID-A simulationen_US
dc.title (題名) 利用NMR模擬尋找MEGA-PRESS 在GSH量化的最佳回訊時間zh_TW
dc.title (題名) Determination of Optimal TE for GSH Quantification in MEGA-PRESS sequence using NMR Simulationen_US
dc.type (資料類型) thesisen_US
dc.relation.reference (參考文獻) [1] Rae, C. D., & Williams, S. R. (2017). "Glutathione in the human brain: Review of its roles and measurement by magnetic resonance spectroscopy." Analytical Biochemistry, 529, 127-143. https://doi.org/10.1016/j.ab.2016.12.022 [2] O'Gorman Tuura, R., Andreazza, A. C., Easter, R. E., et al. (2023). "Prefrontal glutathione levels in major depressive disorder are linked to a lack of positive affect. "Brain Sciences, 13(10), 1475. https://doi.org/10.3390/brainsci13101475 [3] Griffith, H. R., O'Brien, J. L., Salazar, R. D., et al. (2022). "Association of anterior cingulate glutathione with sleep apnea in older adults at-risk for dementia. "Sleep, 39(4), 899–906. https://doi.org/10.1093/sleep/zsw068 [4] Chen, J. J., Thiyagarajah, M., Song, J., Chen, C., Herrmann, N., Gallagher, D., … Lanctôt, K. L. (2022). Altered central and blood glutathione in Alzheimer’s disease and mild cognitive impairment: A meta-analysis. Alzheimer’s Research & Therapy, 14(23). https://doi.org/10.1186/s13195-022-00961-5 [5] Harris, A. D., Saleh, M. G., & Edden, R. A. E. (2017). " Edited 1H magnetic resonance spectroscopy in vivo: Methods and metabolites. " Magnetic Resonance in Medicine, 77(4), 1377–1389. https://doi.org/10.1002/mrm.26619 [6] Garrett, R. H., & Grisham, C. M. (2005). "Biochemistry (3rd ed.). " Belmont, CA: Brooks/Cole – Thomson Learning. [7] An, L., Zhang, Y., Thomasson, D. M., Latour, L. L., Baker, E. H., Shen, J., & Warach, S. (2009). " Measurement of glutathione in normal volunteers and stroke patients at 3T using J-difference spectroscopy with minimized subtraction errors. " Journal of Magnetic Resonance Imaging, 30(2), 263–270. https://doi.org/10.1002/jmri.21832 [8] Chan, K. L., Puts, N. A. J., Snoussi, K., Harris, A. D., Barker, P. B., & Edden, R. A. E. (2016). "Echo time optimization for J‐difference editing of glutathione at 3T. " Magnetic Resonance in Medicine, 77(2), 498–504. https://doi.org/10.1002/mrm.26122 [9] Sanaei Nezhad , F., Anton, A., Parkes, L. M., Deakin, B., & Williams, S. R. (2017). "Quantification of glutathione in the human brain by MR spectroscopy at 3 Tesla: Comparison of PRESS and MEGA-PRESS. " Magnetic Resonance in Medicine, 78(4), 1257-1266. https://doi.org/10.1002/mrm.26532 [10] Cohen-Tannoudji, C., Diu, B., & Laloë, F. (2019). "Quantum Mechanics, Volume 1: Basic Concepts, Tools, and Applications (2nd ed.). "Wiley-VCH [11] de Graaf, R. A. (2019). "In vivo NMR spectroscopy: Principles and techniques (3rd ed.). "Wiley. [12] Keeler, J. (2010). "Understanding NMR Spectroscopy (2nd ed.). " John Wiley & Sons. [13] Stagg, C. J., & Rothman, D. L. (Eds.). (Trans. Li, L., & Li, J.). (n.d.). "Magnetic resonance spectroscopy: Tools for neuroscience research and emerging clinical applications (Chinese ed.). " Beijing: Science Press. [14] Sakurai, J. J., & Napolitano, J. (2020). " Modern quantum mechanics (3rd ed.). "Cambridge University Press. [15] Wangsness, R. K., & Bloch, F. (1953). "The dynamical theory of nuclear induction. "Physical Review, 89(4), 728–739. https://doi.org/10.1103/PhysRev.89.728 [16] Lambert, J. B., Mazzola, E. P., & Ridge, C. D. (n.d.). "Nuclear magnetic resonance spectroscopy: An introduction to principles, applications, and experimental methods (2nd ed., X. Junfeng & Q. Zhou, Trans.) . " Beijing: Chemical Industry Press. [17] M. Mescher, H. Merkle, J. Kirsch, M. Garwood, and R. Gruetter, "Simultaneous in vivo spectral editing and water suppression," NMR in Biomedicine, vol. 11,pp. 266-272, 1998. [18] Chan, K. L., Puts, N. A. J., Schär, M., Barker, P. B., & Edden, R. A. E. (2016). "HERMES: Hadamard encoding and reconstruction of MEGA‐edited spectroscopy. " Magnetic Resonance in Medicine, 76(1), 11–19. https://doi.org/10.1002/mrm.26233 [19] Simpson, R., Devenyi, G. A., Jezzard, P., Hennessy, T. J., & Near, J. (2017). "Advanced processing and simulation of MRS data using the FID appliance (FID‐A)—An open-source, MATLAB-based toolkit. " Magnetic Resonance in Medicine, 77(1), 23–33. https://doi.org/10.1002/mrm.26091 [20] Simpson, R. (2016). "FID-A: Advanced processing and simulation of MRS data using the FID appliance (FID-A) Manual. "Retrieved from https://www.opensourceimaging.org/project/fid-a-advanced-processing-and-simulation-of-mr-spectroscopy/ [21] Govindaraju, V., Young, K., & Maudsley, A. A. (2000). "Proton NMR chemical shifts and coupling constants for brain metabolites. " NMR in Biomedicine, 13(3), 129-153. [22] Chan, K. L., Saleh, M. G., Oeltzschner, G., Barker, P. B., & Edden, R. A. E. (2017). "Simultaneous measurement of Aspartate, NAA, and NAAG using HERMES spectral editing at 3 Tesla. " NeuroImage, 159, 32-43. https://doi.org/10.1016/j.neuroimage.2017.04.043zh_TW