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研究生: 王玲瑄
Wang, Ling-Hsuan
論文名稱: 染料與顏料之拉曼光譜資料庫的建立與應用
Establishment and Application of a Raman Spectral Database for Common Dyes and Pigments
指導教授: 林震煌
Lin, Cheng-Huang
口試委員: 林震煌
Lin, Cheng-Huang
李君婷
Li, Chun-Ting
何佳安
Ho, Ja-An
口試日期: 2024/06/05
學位類別: 碩士
Master
系所名稱: 化學系
Department of Chemistry
論文出版年: 2024
畢業學年度: 112
語文別: 中文
論文頁數: 74
中文關鍵詞: LabVIEW表面增強拉曼光譜
英文關鍵詞: LabVIEW, surface-enhanced Raman spectroscopy (SERS)
研究方法: 實驗設計法主題分析
DOI URL: http://doi.org/10.6345/NTNU202401311
論文種類: 學術論文
相關次數: 點閱:44下載:0
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  • 本研究使用了兩種基於不同原理撰寫的光譜資料庫,分別為均方根誤差和交互相關係數原理,作為評估準確性和相關性的衡量指標。由於每次測量的訊號強度和位移間距都各不相同,因此通過對光譜進行正規化處理,成功解決了光譜不一致的問題,可以檢索和比對多種常見的有機染料和無機顏料。
    為了應對不同狀態的顏料樣品,使用了三種不同的前處理方式。這些樣品通常呈現不同的形式,例如包裝好的水彩顏料、上色後的畫作以及化學合成的染料等,因此針對這些樣品採用了相應的檢測方法。透過使用不同的前處理方法,結合表面增強拉曼散射技術可以對一些無法直接使用拉曼光譜儀測量到的樣品進行分析。
    除了驗證了這些方法的可行性之外,同時結合資料庫的使用,比較兩個資料庫的準確度,從而實現了更快速的鑑定結果,為顏料的鑑定提供了更多的選擇性。透過在實際樣品上的成功應用,證明了該資料庫在不同顏料和染料比對上的有效性,同時也展示了在表面增強拉曼技術方面的適用性。

    Two spectral databases built on different principles, namely the root mean square error and the cross-correlation coefficient principles, were used as measures to evaluate accuracy and correlation. Since the signal intensity and displacement spacing of each measurement are different, the problem of spectral inconsistency was successfully solved by normalizing the spectra, allowing for the retrieval and comparison of a variety of common organic dyes and inorganic pigments.
    In order to deal with pigment samples in different states, three different pre-treatment methods are provided. Considering that the pigment samples that need to be identified usually come in different forms, such as packaged watercolor paints, colored paintings, and chemically synthesized dyes, we provide corresponding detection methods for these samples. By using different pre-treatment methods, combined with surface-enhanced Raman scattering technology, some samples that cannot be measured directly using a Raman spectrometer can be analyzed.
    In addition to verifying the feasibility of these methods, it also combines the use of databases to compare the accuracy of the two databases, thereby achieving faster identification results and providing more selectivity for the identification of artworks. The successful application on actual samples demonstrates the effectiveness of the database in comparing different pigments and dyes, and also demonstrates its applicability in surface-enhanced Raman technology.

    摘要 i Abstract ii 目錄 iii 圖目錄 vi 表目錄 ix 第一章 緒論 1 1-1研究目的 1 1-2分析物簡介 2 1-2-1 水彩顏料 2 1-2-2 真實樣品 7 1-2-3 有機染料 9 第二章 分析原理 11 2-1拉曼散射原理 11 2-2表面增強拉曼光譜 13 2-3 基質輔助雷射脫附游離飛行時間質譜法 14 2-3-1 基質特性 15 2-4 LabVIEW 17 2-4-1 LabVIEW介紹 17 2-4-3 均方根誤差 18 2-4-3 交互相關係數 19 2-4-4 光譜正規化 20 第三章 儀器與實驗方法 21 3-1 儀器設備 21 3-1-1 拉曼光譜儀 21 3-1-2 MALDI-TOF MS 24 3-1-3 拉曼光譜資料庫 25 3-1-4 其他儀器設備 29 3-2 實驗材料與方法 30 3-2-1 資料庫顏料標準品 30 3-2-2 實驗藥品 32 3-2-3 奈米銀溶液配製方法 32 3-2-4 修復前點測法(BPG Spot Tests) 34 3-2-5 薄膜層析法 35 第四章 結果與討論 36 4-1 樣品前處理 37 4-1-1純化 37 4-1-2 毛細作用結合表面增強拉曼 39 4-1-3 薄膜層析結合表面增強拉曼光譜 46 4-2 資料庫比對結果 52 4-2-1 水彩顏料比對 52 4-2-2 孔雀石綠標準品比對 54 4-2-3 有機染料比對 56 4-2-4 減去基線背景比對 59 4-3 真實樣品比對結果 61 第五章 結論 63 參考文獻 64 附錄 70 發表 74

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