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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 徐善慧(Shan-hui Hsu) | |
| dc.contributor.author | Tzu-Hsuan Huang | en |
| dc.contributor.author | 黃子軒 | zh_TW |
| dc.date.accessioned | 2022-11-24T03:10:37Z | - |
| dc.date.available | 2021-11-03 | |
| dc.date.available | 2022-11-24T03:10:37Z | - |
| dc.date.copyright | 2021-11-03 | |
| dc.date.issued | 2021 | |
| dc.date.submitted | 2021-10-26 | |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/80608 | - |
| dc.description.abstract | 幾丁聚醣是自然界含量非常豐富的物質，為天然的陽離子線性多醣，乙二醇幾丁聚醣是幾丁聚醣的衍生物，具有優良的生物相容性、無生物毒性及生物降解性等性能。由於其獨特的生物學特性，它已廣泛被應用於商業、水凝膠及生物醫學中的生醫材料等領域。在這之中，水凝膠的諸多優點使其被視為在組織修復、再生，以及藥物輸送方面為有潛力的生物材料。然而，雖然在對疾病治療的藥物輸送方面已經被廣泛的研究，但乙二醇幾丁聚醣自癒合水膠和藥物的分子作用機制尚未被探索清楚。 因此，本研究利用乙二醇幾丁聚醣自癒合水膠作為藥物載體，選擇了吉西他濱和阿黴素兩種抗癌藥物作為藥物模型，建立不同藥物濃度下乙二醇幾丁聚醣自癒合水膠分別與吉西他濱和阿黴素所組成的輸送系統模型，透過分子動力模擬探討乙二醇幾丁聚醣自癒合水膠攜帶藥物的效率，以及其與藥物之間的分子作用機制，了解藥物的性質差異和藥物濃度如何影響乙二醇幾丁聚醣自癒合水膠的結構性質、作為載體的效率以及分子間作用力的變化。 本研究的結果量化了乙二醇幾丁聚醣自癒合水膠作為載體的效率表現，並解釋了藥物濃度對其分子結構的及分子間作用機制的影響，為藥物輸送應用上的混合新型治療提供乙二醇幾丁聚醣自癒合水膠的設計參考基礎。 | zh_TW |
| dc.description.provenance | Made available in DSpace on 2022-11-24T03:10:37Z (GMT). No. of bitstreams: 1 U0001-2210202115592800.pdf: 6747234 bytes, checksum: 814d935f42e9cfb608948ed7c47b2d86 (MD5) Previous issue date: 2021 | en |
| dc.description.tableofcontents | 誌謝 i 摘要 ii Abstract iii 目錄 v 圖目錄 vii 表目錄 xi 第1章、 緒論 1 1.1 背景介紹 1 1.2 文獻回顧 2 1.2.1 可注射的乙二醇幾丁聚醣自癒合水膠[8] 2 1.2.2 藥物輸送系統 6 1.2.3 分子動力模擬 7 1.3 研究目的 10 1.4 論文架構 10 第2章、 理論與方法 11 2.1 分子動力模擬 11 2.1.1 條件設計 12 2.1.2 週期性邊界條件 13 2.1.3 CVFF力場 14 2.2 模型設計 14 2.3 模擬流程 17 2.4 分析方法 19 2.4.1 負載效率(Loading efficiency，簡稱LE) 19 2.4.2 頭尾端距(End-to-end distance) 19 2.4.3 徑向分布函數(Radial distribution function，RDF) 19 2.4.4 均方位移(Mean-square displacement，簡稱MSD) 20 2.4.5 擴散係數(Diffusion coefficient) 21 2.4.6 氫鍵 21 2.4.7 π-stacking作用 21 第3章、 不同藥物濃度和結構對GC-DP自癒合水膠性質之影響 23 3.1 不同系統下GC-DP自癒合水膠之負載效率性質 23 3.2 不同系統下GC-DP自癒合水膠之分子結構特性 27 3.3 比較與討論 32 第4章、 GC-DP自癒合水膠與藥物之分子作用及藥物擴散性 33 4.1 GC-DP自癒合水膠與GEM之分子作用機制 33 4.2 GC-DP自癒合水膠與DOX之分子作用機制 44 4.3 藥物濃度對GEM及DOX的擴散影響 55 4.4 比較與討論 57 第5章、 結論與未來展望 60 5.1 結論 60 5.2 未來展望 62 參考文獻 64 | |
| dc.language.iso | zh-TW | |
| dc.subject | 藥物輸送系統 | zh_TW |
| dc.subject | 分子動力模擬 | zh_TW |
| dc.subject | 水膠 | zh_TW |
| dc.subject | 乙二醇幾丁聚醣 | zh_TW |
| dc.subject | 吉西他濱 | zh_TW |
| dc.subject | 阿黴素 | zh_TW |
| dc.subject | gemcitabine | en |
| dc.subject | doxorubicin | en |
| dc.subject | hydrogel | en |
| dc.subject | drug delivery system | en |
| dc.subject | Molecular dynamics | en |
| dc.subject | glycol chitosan | en |
| dc.title | 以分子動力模擬探討乙二醇幾丁聚醣水膠作為藥物輸送系統之分子作用機制 | zh_TW |
| dc.title | Molecular interaction mechanisms of glycol chitosan hydrogel as a drug delivery system for gemcitabine and doxorubicin: a molecular dynamics study | en |
| dc.date.schoolyear | 109-2 | |
| dc.description.degree | 碩士 | |
| dc.contributor.coadvisor | 張書瑋(Shu-Wei Chang) | |
| dc.contributor.oralexamcommittee | 周佳靚(Hsin-Tsai Liu),林立強(Chih-Yang Tseng) | |
| dc.subject.keyword | 分子動力模擬,水膠,乙二醇幾丁聚醣,吉西他濱,阿黴素,藥物輸送系統, | zh_TW |
| dc.subject.keyword | Molecular dynamics,hydrogel,glycol chitosan,gemcitabine,doxorubicin,drug delivery system, | en |
| dc.relation.page | 67 | |
| dc.identifier.doi | 10.6342/NTU202104035 | |
| dc.rights.note | 同意授權(限校園內公開) | |
| dc.date.accepted | 2021-10-27 | |
| dc.contributor.author-college | 工學院 | zh_TW |
| dc.contributor.author-dept | 高分子科學與工程學研究所 | zh_TW |
| 顯示於系所單位： | 高分子科學與工程學研究所 | |
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