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Related Concept Videos

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)

Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

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 axis.
¹H NMR Signal Integration: Overview00:58

¹H NMR Signal Integration: Overview

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...
¹H NMR of Labile Protons: Deuterium (²H) Substitution00:48

¹H NMR of Labile Protons: Deuterium (²H) Substitution

This lesson illustrates the role of deuterium substitution in simplifying the NMR spectrum of compounds comprising labile protons. One method employed is the use of deuterium. Amongst the three isotopes of hydrogen, deuterium (2H) has a nucleus composed of one proton and one neutron. When the D2O solvent is added to a pure dry ethanol solution, its labile proton is substituted with deuterium.
Mass Spectrometry: Complex Analysis01:21

Mass Spectrometry: Complex Analysis

Mass spectrometry is an important technique for the identification of pure compounds. However, it has some limitations for the analysis of complex mixtures, often due to excessive fragmentation making the spectrum too complicated to decipher. Mass spectrometry can be combined with suitable separation methods in sequence, forming hyphenated methods, which are useful in the analysis of complex mixtures.
GC–MS is a powerful hyphenated method commonly used in forensics and environmental...
Two-Dimensional (2D) NMR: Overview01:12

Two-Dimensional (2D) NMR: Overview

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.

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Related Experiment Video

Updated: Jun 1, 2026

The Identification of Sea Lamprey Pheromones Using Bioassay-Guided Fractionation
09:35

The Identification of Sea Lamprey Pheromones Using Bioassay-Guided Fractionation

Published on: July 17, 2018

LUMIN: A novel algorithm for automated mixture quantification using 1D 1H NMR spectra.

Xinyuan Xie1, Hongxu Zhang1, Yingting Shi1

  • 1Institute of Pharmaceutical Informatics, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058, China; State Key Laboratory of Chinese Medicine Modernization, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, 310058, China.

Analytica Chimica Acta
|May 30, 2026
PubMed
Summary

Automated quantitative 1H NMR (qNMR) analysis is now possible with LUMIN, a new tool that eliminates manual peak selection. This enhances objectivity and speeds up complex mixture analysis.

Keywords:
1D (1)H NMR spectroscopyLibrary-aidedMixture analysisQuantitative NMR

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Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures
09:38

Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures

Published on: January 7, 2019

Related Experiment Videos

Last Updated: Jun 1, 2026

The Identification of Sea Lamprey Pheromones Using Bioassay-Guided Fractionation
09:35

The Identification of Sea Lamprey Pheromones Using Bioassay-Guided Fractionation

Published on: July 17, 2018

Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures
09:38

Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures

Published on: January 7, 2019

Area of Science:

  • Analytical Chemistry
  • Spectroscopy

Background:

  • Quantitative 1H Nuclear Magnetic Resonance (qNMR) is valuable for analyzing complex mixtures.
  • Manual peak selection for qNMR is time-consuming, subjective, and requires significant expertise.
  • This bottleneck limits the efficiency and broad application of qNMR, especially in high-throughput studies.

Purpose of the Study:

  • To develop an automated tool for quantitative 1H NMR (qNMR) analysis.
  • To eliminate the need for manual selection of quantification peaks in qNMR.
  • To improve the efficiency, objectivity, and reproducibility of qNMR analyses.

Main Methods:

  • Development of LUMIN, a library-utilized tool for automated qNMR analysis.
  • Implementation of two operating modes to balance efficiency and analytical depth.
  • Evaluation of LUMIN's performance using synthetic model mixtures and real-world samples.

Main Results:

  • LUMIN automatically identifies optimal quantification peaks with over 95% accuracy in synthetic mixtures.
  • Quantitative accuracy demonstrated excellent linear correlation with relative errors within 10%.
  • The tool showed robustness and practical applicability in real-world plant and animal origin mixtures.

Conclusions:

  • LUMIN automates the expert decision-making process for 1D 1H qNMR.
  • The tool significantly reduces analysis time and enhances objectivity and reproducibility.
  • LUMIN lowers the barrier for qNMR application in large-scale studies of complex mixtures.