Diffusion ordered spectroscopy (DOSY) is widely used to measure molecular self-diffusion coefficient. In DOSY spectra, the digital resolution of the diffusional coefficient dimension could have notable effects on the measurement accuracy under certain circumstances. In this study, we first assessed the deviation range of the DOSY experiment itself systematically. The magnitudes and sources of deviation induced by digital resolution were then investigated by applying a variety of digital resolutions into the processing of DOSY spectra. It was proposed that relative digital resolution could be compared to relative molecular diffusion coefficient changes, demonstrating directly the effects of digital resolution on diffusion coefficient measurement.
HUANG Jun-lin
,
YU Yi-hua
. Effects of Digital Resolution on Diffusional Dimension in DOSY Experiments[J]. Chinese Journal of Magnetic Resonance, 2018
, 35(3)
: 287
-293
.
DOI: 10.11938/cjmr20182623
[1] JOHNSON C S. Diffusion ordered nuclear magnetic resonance spectroscopy:principles and applications[J]. ChemInform, 1999, 30(33):203-256.
[2] LV J, SHAN L, TU G Z. The integrated DOSY acquisition/processing module for TopSpin NMR software[J]. Chinese J Magn Reson, 2008, 25(1):133-143. 吕娟, 单璐, 涂光忠. TopSpin核磁共振软件中集成的DOSY采集/处理模块DOSYmTM[J]. 波谱学杂志, 2008, 25(1):133-143.
[3] ANTALEK B. Using pulsed gradient spin echo NMR for chemical mixture analysis:How to obtain optimum results[J]. Concept Magn Reson A, 2010, 14(4):225-258.
[4] STEJSKAL E O, TANNER J E. Spin diffusion measurements:spin echoes in the presence of a time-dependent field gradient[J]. J Chem Phys, 1965, 42(1):288-292.
[5] TANNER J E. Use of the stimulated echo in NMR diffusion studies[J]. J Chem Phys, 1970, 52(5):2523-2526.
[6] WU D H, CHEN A, JOHNSON C S. Flow imaging by means of 1D pulsed-field-gradient NMR with application to electroosmotic flow[J]. J Magn Reson, 1995, 115(1):123-126.
[7] WIDER G, DOTSCH V, WUTHRICH K. Self-compensating pulsed magnetic-field gradients for short recovery times[J]. J Magn Reson, 1994, 108(2):255-258.
[8] BARJAT H, MORRIS G A, SMART S, et al. High-resolution diffusion-ordered 2D spectroscopy (HR-DOSY)-a new tool for the analysis of complex mixtures[J]. J Magn Reson, 1995, 108(2):170-172.
[9] Ca2+ assisted DOSY NMR:An unexpected tool for anomeric identification for D-glucopyranose[J]. ChemistrySelect, 2018, 3, DOI:10.1002/slct.201800316
[10] TOUMI I, CALDARELLI S, TORRÉSANI B. A review of blind source separation in NMR spectroscopy[J]. Prog Nucl Magn Reson Spectrosc, 2014, 81(8):37-64.
[11] PASTOR A, MARTÍNEZ-VIVIENTE E. NMR spectroscopy in coordination supramolecular chemistry:A unique and powerful methodology[J]. Coordin Chem Rev, 2008, 252(21,22):2314-2345.
[12] MA E Q, LI Y X, ZHAO R G, et al. Interactions between NP-10 and single/double chain quaternary ammonium salts studied by NMR spectroscopy[J]. Chinese J Magn Reson, 2017, 34(1):16-24. 马二倩, 李永肖, 赵瑞格, 等. NP-10与单链、双链季铵盐三种复配体系相互作用规律的NMR研究[J]. 波谱学杂志, 2017, 34(1):16-24.
[13] KHODOV I A, ALPER G A, MAMARDASHVILI G M, et al. Hybrid multi-porphyrin supramolecular assemblies:Synthesis andstructure elucidation by 2D DOSY NMR studies[J]. J Mol Struct, 2015, 1099:174-180.
[14] WANG L M, QIU R C, HUANG S H. Quantitative analysis of active ingredients in compound acetylsalicylic acid tablets by DOSY[J]. Chinese J Magn Reson, 2016, 33(3):415-421. 王丽敏, 仇汝臣, 黄少华. 复方乙酰水杨酸片中有效成分的DOSY技术分析[J]. 波谱学杂志, 2016, 33(3):415-421.
[15] TREFI S, GILARD V M M, MARTINO R. Generic ciprofloxacin tablets contain the stated amount of drug and different impurity profiles:A 19F, 1H and DOSY NMR analysis[J]. J Pharmaceut Biomed Anal, 2007, 44(3):743-754.
[16] 崔艳芳, 刘买利. 应用DOSY-NMR分析血浆脂蛋白扩散系数的分布[C]. 南京:第十一届全国波谱学学术会议, 2000.
[17] ZHOU Q J, XIANG J F, TANG Y L. Applications of nuclear magnetic resonance spectroscopy in drug discovery[J]. Chinese J Magn Reson, 2010, 27(1):68-79. 周秋菊, 向俊锋, 唐亚林. 核磁共振波谱在药物发现中的应用[J]. 波谱学杂志, 2010, 27(1):68-79.
[18] MONAKHOVA Y B, DIEHL B, DO T X, et al. Novel method for the determination of average molecular weight of natural polymers based on 2D DOSY NMR and chemometrics:Example of heparin[J]. J Pharm Biomed Anal, 2017, 149:128-132.
[19] BEDNAREK E, SITKOWSKI J, BOCIAN W, et al. An assessment of polydispersed species in unfractionated and low molecular weight heparins by diffusion ordered nuclear magnetic resonance spectroscopy method[J]. J Pharm Biomed Anal, 2010, 53(3):302-308.
[20] ANTALEK B. Using pulsed gradient spin echo NMR for chemical mixture analysis:How to obtain optimum results[J]. Concept Magn Reson A, 2010, 14(4):225-258.
[21] ZHAO B, LI Y L, LI M, et al. An NMR study of capsaicin/β-cyclodextrin complex[J]. Chinese J Magn Reson, 2013, 30(4):576-584. 赵兵, 李艺蕾, 李明, 等. 辣椒碱与β-环糊精包合物的核磁共振研究[J]. 波谱学杂志, 2013, 30(4):576-584.
[22] CHEN X J, HU R Q, FENG H J, et al. Intradiffusion, density, and viscosity studies in binary liquid systems of acetylacetone + alkanols at 303.15 K[J]. J Chem Eng Data, 2012, 57(9):2401-2408.
[23] LOENING N M, KEELER J. Measurement of convection and temperature profiles in liquid samples[J]. J Magn Reson, 1999, 139(2):334-341.
[24] LAPPA M. Thermal convection:patterns, evolution and stability[M]. Wiley, 2009.
[25] ANTALEK B. Using pulsed gradient spin echo NMR for chemical mixture analysis:How to obtain optimum results[J]. Concept Magn Reson A, 2010, 14(4):225-258.
