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Related Concept Videos

2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

324
Homonuclear correlation spectroscopy (COSY) is a powerful technique used in Nuclear Magnetic Resonance (NMR) spectroscopy to study the correlations between nuclei of the same type within a molecule. It provides information about scalar couplings between adjacent nuclei, which helps determine connectivity and structural information. There are several COSY variants, each with its unique strengths and experimental parameters.
COSY90 is the standard two-dimensional (2D) COSY experiment that...
324
Applications Of NMR In Biology01:25

Applications Of NMR In Biology

4.0K
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.
4.0K
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

345
Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
345
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

938
The 1D NMR spectrum of large and complex molecules like natural products has complicated splitting patterns and overlapping signals, which can be easily interpreted using 2-dimensional (2D) NMR. Unlike 1D NMR, 2D NMR has two frequency axes that provide the coupling information between the nucleus A and nucleus B in a molecule. The process from which 2D spectra are obtained has four steps.
The first step is the preparation period, during which nucleus A is excited with a radiofrequency pulse....
938
¹H NMR Signal Integration: Overview00:58

¹H NMR Signal Integration: Overview

1.9K
The intensity of a signal, which can be represented by the area under the peak, depends on the number of protons contributing to that signal. The area under each peak is shown as a vertical line called an integral, with the integral value listed under it, as seen in the proton NMR spectrum of benzyl acetate. Each integral value is divided by the smallest integral value to obtain the ratio of the number of protons producing each signal. The ratio reveals the relative number of protons and not...
1.9K
Nuclear Magnetic Resonance (NMR): Overview01:07

Nuclear Magnetic Resonance (NMR): Overview

4.7K
Nuclear magnetic resonance (NMR) is a phenomenon exhibited by certain nuclei that can absorb characteristic radio frequency radiation under certain conditions. NMR has been extensively applied in molecular spectroscopy and medical diagnostic imaging. In both these applications, the molecule or subject under study is placed in a magnetic field and irradiated with radio frequency energy.
NMR spectroscopy generates a spectrum where the characteristic absorption frequencies of the sample are...
4.7K

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Updated: Oct 4, 2025

Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics
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Identification and Quantification of Deranged Metabolites in Critically Ill Patients Using NMR-Based Metabolomics

Published on: November 29, 2024

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Merging NMR Data and Computation Facilitates Data-Centered Research.

Kumaran Baskaran1, D Levi Craft1, Hamid R Eghbalnia1

  • 1Department of Molecular Biology and Biophysics, UConn Health, Farmington, CT, United States.

Frontiers in Molecular Biosciences
|February 3, 2022
PubMed
Summary
This summary is machine-generated.

The Biological Magnetic Resonance Data Bank (BMRB) and NMRbox enhance structural biology research by promoting data and software reuse. Combining these resources accelerates workflows and enables future advances like machine learning.

Keywords:
data federationdata repositoriesnuclear magnetic resonancereproducible researchstructural biology

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Area of Science:

  • Structural Biology
  • Bioinformatics
  • Data Science

Background:

  • The Biological Magnetic Resonance Data Bank (BMRB) has supported the NMR structural biology community for 40 years, promoting FAIR data principles.
  • NMRbox offers NMR software and high-performance computing, complementing BMRB by facilitating software reuse.

Purpose of the Study:

  • To highlight the synergistic benefits of combining BMRB and NMRbox resources.
  • To emphasize their role in advancing reproducible research and enabling future computational biology applications.

Main Methods:

  • Leveraging BMRB for FAIR-compliant structural biology data.
  • Utilizing NMRbox for NMR software and computational resources.
  • Integrating BMRB and NMRbox to streamline research workflows.

Main Results:

  • Combined use of BMRB and NMRbox simplifies and accelerates workflows.
  • Facilitates federation of BMRB data with other repositories.
  • Enables reproducible research through integrated data and software access.

Conclusions:

  • The tandem utilization of BMRB and NMRbox significantly enhances structural biology research.
  • This integration is poised to drive advances in areas like machine learning.
  • Promotes efficient data and software reuse, accelerating scientific discovery.