欲由NMR光譜來獲得DNA 整個結構，並不是很容易；特別是對三股或四股DNA 寡核甘酸。在此利用簡易的one-pot實驗步驟，對此四種不同已保護的去氣核?單元體在特定位置上做氟同位素標定，而後可將此已氟同位素標定之探針單元體以核酸合成儀將之排入在整個寡核甘酸之特定順序位置。
在合成選擇性標定之寡核?酸作為運用於固態核磁共振儀探討核酸分子動力結構之前時，我們必需尋求適合之模型分子（model compound），以及其特殊構形箏定之條件因子。是以我們也合成少量未標定的單股寡核甘酸執行液態核磁共振儀之探討，其序列分別為d(GGATTTAGG)，以作為形成G-tetrad DNA四股核酸動力結構之初步探討。四股核酸被推測在減數分裂中扮演將四個同種染色絲結合在一起的角色。在較高樣品濃度、較高鹽類濃度與較低溫度下，較易形成穩定的四股核酸狀態。且建立了其由G-tetrad G(syn)-G(anti)-G(syn)-G(anti)排列方式以氫鍵相結合，形成反向平行含Tloop的四股寡核醣核酸構形。
核磁共振光譜吸收峰的判定與NOE之測量，配合分子模擬及能量計算，來輔助分子結構的建立，並利用分子模擬運算來支持預測實驗的結果；且由計算理論上，將可預期局部的動力結構特徵，此可來作為固態核磁共振儀未來的研究。

It's not easy to obtain DNA sequences with well-resolved NMR peaks for accurate peak volume integration and distance measurement, especially for special structures triplex or tetraplex DNA.Procedures have been developed for selective incorporation of deuterium at C-8 of 5'-DMT-dA(Bz)@, C-8 of 5'-DMT-dG(i-Bu), C-6 of 5'-DMT-dC(Bz), and C-6 of 5'-DMT-dT in dimethylsulfoxide solution catalyed by various amounts of base at 90-135℃.
In parallel to the selective isotope-labeling process, wealso prepared several small scale synthesis of d(GGATTTAGG) for G-tetrad DNA studies. To use solution state NMR techniques to probe the favorable conditions for tetraplex formation, such as pH value, ionic strength, nucleic acid concentration...etc., for the following solid state studies. Finally, utlize selected isotope-substituted tetraplex nucleic acid to investigate the structural and dynamical features of base, ribose and phosphate moieties over a wide range of hydration levels via solid state NMR techniques to elucidate the nature of internal motions in these systems.
Then, using molecular modelling calculation to simulate the theoretical predictable structural features of this biomolecule. These results will provide important criteria for high resolution two-dimensional NMR study on reconstructing three-dimensional structure of this biomolecule. Due to the interesting implication of this tetraplex nucleicacid structure in biological function, the results from this solid state NMR studies are expected to be of great significance.