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Related Concept Videos

¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

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The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...
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Spin–Spin Coupling Constant: Overview01:08

Spin–Spin Coupling Constant: Overview

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In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
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Range00:59

Range

14.2K
The range is one of the measures of variation. It can be defined as the difference between a dataset's highest and lowest values. For example, in the study of seven 16-ounce soda cans, the filled volume of soda was measured, thus producing the following amount (in ounces) of soda:
15.9; 16.1; 15.2; 14.8; 15.8; 15.9; 16.0; 15.5
Measurements of the amount of soda in a 16-ounce can vary since different subjects record these measurements or since the exact amount - 16 ounces of liquid, was not...
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α-Hydroxy Ketones via Reductive Coupling of Esters: Acyloin Condensation Overview01:19

α-Hydroxy Ketones via Reductive Coupling of Esters: Acyloin Condensation Overview

3.3K
The pinacol and McMurry reactions involve the reductive coupling of ketones or aldehydes. Similarly, the bimolecular reductive coupling of two ester molecules in the presence of sodium metal in an aprotic solvent yields an α-hydroxy ketone product. The α-hydroxy ketone is also called acyloin, so the reaction is referred to as ‘acyloin condensation.’
3.3K
Constant Pressure Calorimetry03:02

Constant Pressure Calorimetry

97.7K
Calorimetry is a technique used to measure the amount of heat involved in a chemical or physical process or to measure the heat transferred to or from a substance. The heat is exchanged with a calibrated and insulated device called the calorimeter. Calorimetry experiments are based on the assumption that there is no heat exchange between the insulated calorimeter and the external environment. The well-insulated calorimeters prevent the transfer of heat between the calorimeter and its external...
97.7K
Constant Volume Calorimetry02:41

Constant Volume Calorimetry

30.8K
Calorimeters are useful to determine the heat released or absorbed by a chemical reaction. Coffee cup calorimeters are designed to operate at constant (atmospheric) pressure and are convenient to measure heat flow (or enthalpy change) accompanying processes that occur in solution at constant pressure. A different type of calorimeter that operates at constant volume, colloquially known as a bomb calorimeter, is used to measure the energy produced by reactions that yield large amounts of heat and...
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Related Experiment Video

Updated: Feb 5, 2026

A Uniaxial Compression Experiment with CO2-Bearing Coal Using a Visualized and Constant-Volume Gas-Solid Coupling Test System
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Long-range heteronuclear J-coupling constants in esters: Implications for

Neil J Stewart1, Hiroyuki Kumeta2, Mitsushi Tomohiro1

  • 1Division of Bioengineering and Bioinformatics, Graduate School of Information Science and Technology, Hokkaido University, Sapporo, Japan.

Journal of Magnetic Resonance (San Diego, Calif. : 1997)
|September 18, 2018
PubMed
Summary
This summary is machine-generated.

This study quantifies heteronuclear couplings for hyperpolarized 13C metabolites using parahydrogen induced polarization. Findings improve efficiency for metabolic MRI applications.

Keywords:
CLIP-HSQMBCDFT simulationsEstersHyperpolarized (13)C NMRLong-range heteronuclear J couplingsSide-arm parahydrogen induced polarizationsel-HSQMBC-TOCSY

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Area of Science:

  • Magnetic Resonance Imaging
  • Hyperpolarization Techniques
  • Metabolic Imaging

Background:

  • Side-arm parahydrogen induced polarization (PHIP-SAH) offers cost-effective hyperpolarization of 13C metabolites for metabolic MRI.
  • The efficiency of spin transfer in PHIP-SAH relies heavily on the J coupling network between parahydrogen protons and 13C.

Purpose of the Study:

  • To experimentally and numerically investigate heteronuclear nJHC couplings (1 < n ≤ 5) in acetate and pyruvate esters relevant for PHIP-SAH.
  • To assess the implications of these couplings for various spin order transfer methods used in PHIP-SAH.

Main Methods:

  • Utilized selective HSQMBC-based pulse sequences (CLIP-HSQMBC, sel-HSQMBC-TOCSY) for experimental quantification of JHC couplings.
  • Employed Density Functional Theory (DFT) simulations for numerical investigation of couplings.
  • Analyzed spin order transfer using a density matrix approach.

Main Results:

  • Experimental and DFT-simulated nJHC couplings showed strong correlation (P < 0.001).
  • Quantified 2-3 bond JHC couplings and estimated 4-5 bond JHC couplings (≲ 0.5 Hz).
  • Evaluated the influence of direct vs. indirect proton-to-13C coupling on hyperpolarization efficiency.

Conclusions:

  • Accurate characterization of heteronuclear J couplings is crucial for optimizing PHIP-SAH hyperpolarization.
  • The findings provide essential data for refining magnetic field cycling and other spin transfer techniques.
  • This work enhances the understanding and application of PHIP-SAH for advanced metabolic MRI.