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Related Concept Videos

NMR Spectroscopy Of Amines01:19

NMR Spectroscopy Of Amines

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In proton NMR spectroscopy, primary amines and secondary amines showcase their N–H protons as a broad signal in the chemical shift range between δ 0.5 and 5 ppm. The exact position in this range depends on several factors, including sample concentration, hydrogen bonding, and the type of solvent used. Since amine protons undergo fast proton exchange in solution, the protons are labile and therefore do not participate in any splitting with adjacent protons. Thus, the observed peak is...
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Affinity and Avidity01:41

Affinity and Avidity

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Overview
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¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

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Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are...
1.2K
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.5K
A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied...
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2D NMR: Overview of Homonuclear Correlation Techniques01:16

2D NMR: Overview of Homonuclear Correlation Techniques

434
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...
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¹H NMR Signal Integration: Overview00:58

¹H NMR Signal Integration: Overview

2.8K
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...
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Updated: Nov 17, 2025

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
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Affinity NMR.

A Chen1, M J Shapiro

  • 1Novartis Institute for Biomedical Research, Novartis Pharmaceutical Corp., Summit, NJ 07901-1398, USA.

Analytical Chemistry
|October 12, 1999
PubMed
Summary
This summary is machine-generated.

Nuclear Magnetic Resonance (NMR) methods simplify drug screening by detecting binding ligands, including low-affinity ones. Enhancing NMR sensitivity is key for analyzing complex mixtures in drug discovery.

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Area of Science:

  • Biochemistry
  • Analytical Chemistry
  • Medicinal Chemistry

Background:

  • Nuclear Magnetic Resonance (NMR) is a powerful technique for identifying binding ligands.
  • Current NMR methods for drug screening face sensitivity limitations compared to techniques like Mass Spectrometry (MS).
  • Low-affinity ligands, crucial for drug development, can be missed by traditional high-throughput screening.

Purpose of the Study:

  • To highlight the advantages of diffusion-based NMR and NOE pumping for drug screening.
  • To discuss the challenges and potential improvements in NMR sensitivity for mixture analysis.
  • To emphasize NMR's role in drug discovery, particularly for identifying novel ligand precursors.

Main Methods:

  • Utilizing diffusion-based NMR and Nuclear Overhauser Effect (NOE) pumping for ligand detection.
  • Addressing challenges in NMR sensitivity through hardware and software improvements.
  • Exploring complementary techniques like High-Performance Liquid Chromatography (HPLC) and MS for enhanced mixture analysis.

Main Results:

  • Diffusion-based NMR and NOE pumping simplify deconvolution in drug screening.
  • These NMR techniques can detect low-affinity ligands, valuable as precursors for higher-affinity compounds.
  • Sensitivity remains the primary challenge for NMR in screening complex mixtures.

Conclusions:

  • NMR is a versatile, nondestructive tool for drug discovery.
  • Improvements in NMR sensitivity, through methods like microcoil and flow probes, are essential.
  • Combining NMR with other analytical techniques can significantly enhance mixture analysis capabilities.