Maximum Entropy Deconvolution for Resolution & Sensitivity Enhancement in Bio-NMR

分辨率的最大熵反卷积

• 批准号: 8724528
• 负责人: JEFFREY C HOCH
• 金额: $ 19.89万
• 依托单位: UNIVERSITY OF CONNECTICUT SCH OF MED/DNT
• 依托单位国家: 美国
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-09-01 至 2017-08-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/8724528
• 关键词: Biomolecular Nuclear Magnetic Resonance; Cells; Collection; Communities; Data; Data Set; Dimensions; Entropy; Fourier Transform; Housing; In Situ; Methods; Molecular Structure; NMR Spectroscopy; NOESY; Nuclear; Nuclear Magnetic Resonance; Performance; Physiologic pulse; Process; Proteins; Reporting; Resolution; Sampling; Solutions; Spectrum Analysis; Structure; Surveys; System; Testing; Twin Multiple Birth; Validation; base; drug candidate; drug discovery; improved; instrument; instrumentation; magnetic field; metabolomics; public health relevance; reconstruction; research study; screening; signal processing; structural biology; tool

DESCRIPTION (provided by applicant): Nuclear magnetic resonance (NMR) spectroscopy is one of the most versatile tools available for probing biomolecular structure, dynamics, and interactions. It is the only method capable of determining molecular structure in solution at atomic resolution, and it has a host of important biomedical applications, including screening potential drug candidates and quantifying metabolites in biofluids or intact cells. Sensitivity and resolution present twin challenges in biomolecular NMR. Both are improved by performing experiments at the highest attainable magnetic field, on instruments that can be staggeringly expensive. Signal processing methods have also long been used in NMR to enhance sensitivity and resolution to the fullest possible extent. Linear methods of signal processing based on the Fourier transform invariably encounter a sensitivity/resolution tradeoff, where one can be enhanced at the expense of the other, but both cannot be simultaneously optimized. Nonlinear methods of spectrum analysis can in some cases avoid this tradeoff, and simultaneously improve both sensitivity and resolution. Anecdotal examples of simultaneously improving sensitivity and resolution in one dimension using maximum entropy deconvolution have been reported, but the gains achieved with this approach are typically modest. In this project we will develop methods for employing maximum entropy to simultaneously deconvolve two or more dimensions to enhance sensitivity and resolution. Preliminary data indicate the resulting gains in sensitivity and resolution are substantially increased compared to one-dimensional deconvolution, and are comparable to the gains associated with collecting data at much higher magnetic field.

描述（由申请人提供）：核磁共振（NMR）光谱是可用于探测生物分子结构，动力学和相互作用的最通用的工具之一。它是唯一能够以原子分辨率确定溶液中分子结构的方法，并且具有许多重要的生物医学应用，包括筛选潜在的候选药物和定量生物体液或完整细胞中的代谢物。灵敏度和