本論文主要關(guān)注于固體核磁共振的研宄,包括異核相關(guān)實驗新方法的開發(fā)和同核相關(guān)實驗的數(shù)據(jù)處理新方法。在第一章中,我們簡要回顧了核磁共振的發(fā)展歷史。在1945年,以Bloch和Pmcell為首的兩個實驗小組同時發(fā)現(xiàn)了核磁共振現(xiàn)象,并于1952年獲得諾貝爾物理學(xué)獎,在隨后的幾十年里,高磁場、高轉(zhuǎn)速以及各種脈沖序列技術(shù)快速發(fā)展、不斷進(jìn)步,時至今日已成為分析分子結(jié)構(gòu)和研宄化學(xué)動力的重要手段,在有機(jī)化學(xué)、生物化學(xué)和藥物化學(xué)等領(lǐng)域里得到了廣泛的應(yīng)用。其次,我們簡要闡述了核磁共振中涉及的各種相互作用及其哈密頓量。核磁共振譜會受到來自外部儀器和樣品內(nèi)部的多種相互作用的影響,前者稱為外部相互作用,后者稱為內(nèi)部相互作用。外部相互作用主要由外磁場,射頻場和梯虔場引起。內(nèi)部相互作用包括化學(xué)位移各向異性、偶極-偶極相互作用、J偶合相互作用和四級相互作用（只對于自旋量子數(shù)大于1/2的核）。我們給出了這些相互作用的解釋及其哈密頓量。再次,我們介紹了一種及其重要的技術(shù),即改變四級核能級布居數(shù)。因在所有核磁共振可檢測核中,四級核約占70%,靈敏度依然是四級核核磁共振的中心問題。我們主要介紹了三種形狀脈沖的原理:WURST（... 

【文章來源】：華東師范大學(xué)上海市 211工程院校 985工程院校 教育部直屬院校

【文章頁數(shù)】：104 頁

【學(xué)位級別】：博士

【文章目錄】：
中文摘要
Abstract
Chapter 1:Introduction
    1.1. History of Solid State NMR
    1.2. Hamiltonians and their manipulations
        1.2.1 The external spin interactions
        1.2.2 The internal spin interactions
    1.3 Population transfer from satellite transitions
        1.3.1 WURST
        1.3.2 DFS
        1.3.3 HS
    1.4. NMR Spectrum
        1.4.1 Fourier transformation two-dimensional (FT2D)spectroscopy
        1.4.2 Covariance Spectroscopy
    1.5. New strategy
        1.5.1 PT-HMQC
        1.5.2 COV2D combined with various sampling schemes and accumulation profiles
    References
Chapter 2:New pulse sequence for heteronuclear experiments
    2.1 Theory
        2.1.1 Indirect detection of quadrupolar nuclei using J-HMQC
        2.1.2 Indirect detection of quadrupolar nuclei using PT-J-HMQC
    2.2 Simulations and Experiments of PT-HMQC
        2.2.1 Simulations
        2.2.2 Experiments
            2.2.2.1 ~(31)P-{~(27)Al}PT-J-HMQC on AlPO_4-HAD and Mu-4 sample
            2.2.2.2 PT-J-HMQC for two half-integer quadrupolar species on Al_2O_3 sample
            2.2.2.3 ~(31)P-{~(27)Al}PT-D-HMQC on APO_4-14 sample
    2.3 Improve Methods of PT-J-HMQC
        2.3.1 Simulations
            2.3.1.1 Double sweeps pulse
            2.3.1.2 Quadruple sweeps pulse
        2.3.2 Experiments
            2.3.2.1 Experiments for Berlinite
            2.3.2.2 Experiments for AlPO_4-14
    2.4 Conclusion
    References
Chapter 3:New data processing methods for homonuclear experiments
    3.1 covariance spectroscopy with a non-uniform continuous acquisition scheme forsignal enhancement
        3.1.1 Background
            3.1.1.1 Conventional UCA-FT2D spectroscopy
            3.1.1.2 Profiles for Non-Uniform Continuous Acquisition schemes
        3.1.2 Experimental section
        3.1.3 Results and discussion
        3.1.4 Conclusion
    3.2 Comparison of various sampling schemes and accumulation profiles in covariance spectroscopy with exponentially decaying 2D signals
        3.2.1 Background
            3.2.1.1 Conventional US-FT2D spectroscopy
            3.2.1.2 Gaussian accumulation profile
            3.2.1.3 CUO and NUS restricted sampling schemes
            3.2.1.4 Covariance spectroscopy
            3.2.1.5 Noise with covariance treatment
        3.2.2 Results and discussion
            3.2.2.1 Comparison of various S/N_(peak-ridge) and S/N_(peak-free)
            3.2.2.2 Constant time S/N_(peak-ridge) and S/N_(peak-free)
            3.2.2.3 Set up of the covariance acquisition
            3.2.2.4 Application of covariance to[U-~(13)C,~(15)N]-proteo-rhodopsin
        3.2.3 Conclusion
    References
Resume
Acknowledgements
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