Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

2D NMR: Overview of Heteronuclear Correlation Techniques01:18

2D NMR: Overview of Heteronuclear Correlation Techniques

368
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...
368
¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

1.2K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.2K
¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

1.2K
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
2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

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

1.0K
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...
1.0K
High-Resolution Mass Spectrometry (HRMS)01:15

High-Resolution Mass Spectrometry (HRMS)

1.8K
The resolution of a mass spectrometer depends on the efficiency of separating ions with different ion masses. The mass of an atom is approximated to the sum of the masses of protons and neutrons inside, considering the masses of protons and neutrons as equal. However, the masses of the proton (1.6726 × 10−24 g) and neutron (1.6749 × 10−24 g) are not truly equal. There is a minor error in the expression of atomic masses relative to the simplest atom of hydrogen. For...
1.8K
Optimizing Chromatographic Separations01:15

Optimizing Chromatographic Separations

549
Optimizing chromatographic separations is crucial for obtaining clean separations in a minimum amount of time. Optimization is required for several factors, including kinetic effects related to band broadening, plate height, capacity factor, and separation factor.
Band broadening refers to spreading solute bands as they travel through the column. This broadening can impact resolution. Plate height (H) represents the length required for one theoretical plate. A lower plate height corresponds to...
549

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Chromatographic Analysis and Enzyme Inhibition Potential of <i>Reynoutria japonica</i> Houtt.: Computational Docking, ADME, Pharmacokinetic, and Toxicokinetic Analyses of the Major Compounds.

Pharmaceuticals (Basel, Switzerland)·2025
Same author

Deep Learning Enables Automatic Correction of Experimental HDX-MS Data with Applications in Protein Modeling.

Journal of the American Society for Mass Spectrometry·2024
Same author

Mapping HDX-MS Data to Protein Conformations through Training Ensemble-Based Models.

Journal of the American Society for Mass Spectrometry·2023
Same author

<i>In vitro</i> and <i>in silico</i> cholinesterase inhibitory and antioxidant effects of essential oils and extracts of two new <i>Salvia fruticosa</i> mill. cultivars (Turgut and Uysal) and GC-MS analysis of the essential oils.

International journal of environmental health research·2023
Same author

7-Acetoxyhorminone from <i>Salvia multicaulis</i> Vahl. as Promising Inhibitor of 3-Hydroxy-3-methylglutaryl Coenzyme A (HMG-CoA) Reductase.

Pharmaceuticals (Basel, Switzerland)·2022
Same author

Computational Modeling of Molecular Structures Guided by Hydrogen-Exchange Data.

Journal of the American Society for Mass Spectrometry·2022

Related Experiment Video

Updated: Oct 11, 2025

A Hydrogen-Deuterium Exchange Mass Spectrometry HDX-MS Platform for Investigating Peptide Biosynthetic Enzymes
11:32

A Hydrogen-Deuterium Exchange Mass Spectrometry HDX-MS Platform for Investigating Peptide Biosynthetic Enzymes

Published on: May 4, 2020

8.3K

Exploiting the Propagation of Constrained Variables for Enhanced HDX-MS Data Optimization.

Ramin Ekhteiari Salmas1, Antoni James Borysik1

  • 1Department of Chemistry, Britannia House, King's College London, London SE1 1DB, United Kingdom.

Analytical Chemistry
|December 3, 2021
PubMed
Summary

Constraining variables in hydrogen-deuterium exchange mass spectrometry (HDX-MS) optimization can unexpectedly impact data accuracy. A new method determines if these constraints improve or impair HDX-MS data modeling.

More Related Videos

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry
11:37

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry

Published on: November 29, 2013

18.6K
Capillary Electrophoresis-based Hydrogen/Deuterium Exchange for Conformational Characterization of Proteins with Top-down Mass Spectrometry
05:45

Capillary Electrophoresis-based Hydrogen/Deuterium Exchange for Conformational Characterization of Proteins with Top-down Mass Spectrometry

Published on: June 8, 2021

3.4K

Related Experiment Videos

Last Updated: Oct 11, 2025

A Hydrogen-Deuterium Exchange Mass Spectrometry HDX-MS Platform for Investigating Peptide Biosynthetic Enzymes
11:32

A Hydrogen-Deuterium Exchange Mass Spectrometry HDX-MS Platform for Investigating Peptide Biosynthetic Enzymes

Published on: May 4, 2020

8.3K
Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry
11:37

Analyzing Protein Dynamics Using Hydrogen Exchange Mass Spectrometry

Published on: November 29, 2013

18.6K
Capillary Electrophoresis-based Hydrogen/Deuterium Exchange for Conformational Characterization of Proteins with Top-down Mass Spectrometry
05:45

Capillary Electrophoresis-based Hydrogen/Deuterium Exchange for Conformational Characterization of Proteins with Top-down Mass Spectrometry

Published on: June 8, 2021

3.4K

Area of Science:

  • Protein biophysics
  • Biophysical chemistry
  • Analytical chemistry

Background:

  • Nonlinear programming is applied to protein biophysics for analyzing hydrogen-deuterium exchange mass spectrometry (HDX-MS) data.
  • Microscopic kinetic solutions from HDX-MS data offer insights into protein stability and energetics.
  • HDX-MS data optimization presents challenges due to numerous variables and wide bounds, often leading to uncertain modeled rates dependent on initial guesses.

Purpose of the Study:

  • To investigate how constrained variables affect HDX-MS optimization.
  • To determine if local constraints can induce global effects on optimization variables.
  • To develop a method for assessing the benefit or detriment of constraints in HDX-MS data modeling.

Main Methods:

  • Exploration of the global effect of locally bound constrained optimization on all variables.
  • Utilizing in-house validation criteria based on covariance matrices to assess constraint impact.
  • Development of a new two-stage method for the HDXmodeller online optimizer.

Main Results:

  • Locally bound constrained optimization was found to induce a significant, long-range global effect on all variables.
  • The impact of constraints on accuracy was unpredictable, sometimes decreasing overall data set accuracy.
  • A method was established to accurately determine if constraints benefit or impair HDX-MS optimization.

Conclusions:

  • Local constraints in HDX-MS optimization can have unpredictable global consequences.
  • A robust method is now available to validate the utility of constraints in HDX-MS data modeling.
  • The enhanced HDXmodeller optimizer can effectively use locally bound variables to improve HDX-MS data modeling.