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相关概念视频

Proteomics01:33

Proteomics

7.2K
A proteome is the entire set of proteins that a cell type produces. We can study proteomes using the knowledge of genomes because genes code for mRNAs, and the mRNAs encode proteins. Although mRNA analysis is a step in the right direction, not all mRNAs are translated into proteins.
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term...
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NMR Spectrometers: Resolution and Error Correction01:14

NMR Spectrometers: Resolution and Error Correction

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When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
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Applications Of NMR In Biology01:25

Applications Of NMR In Biology

3.7K
Nuclear magnetic resonance (NMR) spectroscopy is a very valuable analytical technique for researchers. It has been used for more than 50 years as an analytical tool. F. Bloch and E. Purcell formulated NMR in 1946 and won the 1952 Nobel Prize in Physics  for their work. Biological macromolecules such as proteins, nucleic acids, lipids, and organic molecules including pharmaceutical compounds, can be studied using this versatile tool that exploits the magnetic properties of certain nuclei.
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NMR Spectrometers: Radiofrequency Pulses and Pulse Sequences01:17

NMR Spectrometers: Radiofrequency Pulses and Pulse Sequences

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A pulse is a short burst of radio waves distributed over a range of frequencies that simultaneously excites all the nuclei in the sample. Upon passing a radio frequency pulse along the x-axis, the nuclei absorb energy corresponding to their Larmor frequencies and achieve resonance. This shifts the net magnetization vector from the z-axis toward the transverse plane. This angle of rotation of the magnetization vector, or the flip angle, is proportional to the duration and intensity of the pulse.
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NMR Spectroscopy: Spin–Spin Coupling01:08

NMR Spectroscopy: Spin–Spin Coupling

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The spin state of an NMR-active nucleus can have a slight effect on its immediate electronic environment. This effect propagates through the intervening bonds and affects the electronic environments of NMR-active nuclei up to three bonds away; occasionally, even farther. This phenomenon is called spin–spin coupling or J-coupling. Coupling interactions are mutual and result in small changes in the absorption frequencies of both nuclei involved. While nuclei of the same element are involved...
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Updated: Jun 5, 2025

Paramagnetic Relaxation Enhancement for Detecting and Characterizing Self-Associations of Intrinsically Disordered Proteins
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PyAMARES是一个开源的Python库,用于配合磁共振光谱数据.

Jia Xu1, Michael Vaeggemose2,3, Rolf F Schulte4

  • 1Department of Radiology, University of Iowa, Iowa City, IA 52242, USA.

Diagnostics (Basel, Switzerland)
|December 17, 2024
PubMed
概括
此摘要是机器生成的。

一个新的开源Python工具, pyAMARES,提供了一个灵活和用户友好的实现的先进的方法,准确的,强大的,和高效的光谱适配 (AMARES) 磁共振光谱 (MRS) 数据量化.

关键词:
31P MRS 是一个非常简单的代码.亚马雷斯 (AMARES) 是一个在MRS量化中,MRS的量化在这里,Python是Python.一个X核.动态的MRS可以使用.磁共振光谱学 磁共振光谱学代谢物量化的量化代谢物.开源软件是开源软件.

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科学领域:

  • 代谢研究的研究.
  • 生物医学工程 生物医学工程
  • 计算生物学是一种计算生物学.

背景情况:

  • 磁共振光谱 (MRS) 对于体内代谢研究至关重要.
  • 精确,稳固和高效的光谱适配先进方法 (AMARES) 是一种广泛使用的量化技术.
  • 现有的AMARES实现可能缺乏灵活性和与现代计算工具的集成.

研究的目的:

  • 介绍pyAMARES,这是AMARES算法的开源Python实现.
  • 为MRS量化提供灵活,用户友好和多功能工具.
  • 提高MRS研究中的可复制性和协作.

主要方法:

  • 开发了pyAMARES作为一个实现AMARES算法的Python库.
  • 集成的多处理和可定制的目标功能.
  • 通过蒙特卡洛模拟使用模拟和体内MRS数据对OXSA和jMRUI进行验证的pyAMARES.

主要成果:

  • PyAMARES的准确性,精确性和计算效率与现有软件相比相当.
  • 功能包括基于电子表格的设置,在没有事先知识的情况下安装,以及移除代谢物残留物.
  • 多重处理显著改善了pyAMARES的性能.

结论:

  • PyAMARES为Python生态系统中的MRS量化提供了一个强大而灵活的解决方案.
  • 它的开源性质,文档和集成促进了可复制性和协作.
  • PyAMARES将传统的MRS与机器学习相结合,推进代谢研究和临床应用.