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

Solvents01:12

Solvents

71.2K
A solvent is a substance, most often a liquid, that can dissolve other substances. Here, the substance being dissolved is called a solute. When a solvent and a solute combine, they form a solution - a homogenous mixture of both the solvent and the solute. Water is a universal biological solvent. Its polar structure allows it to dissolve many other polar compounds. The ability of water to dissolve is governed by a balance between water molecules binding to each other and binding to the solute.
A...
71.2K
Imaging Studies III: Computed Tomography01:27

Imaging Studies III: Computed Tomography

375
DefinitionComputed Tomography (CT) of the genitourinary (GU) tract is a non-invasive imaging modality that utilizes X-rays and computer processing to generate detailed cross-sectional images of the urinary system, encompassing the kidneys, ureters, bladder, and adjacent structures such as the adrenal glands.PurposeCT scans of the GU tract serve several diagnostic and therapeutic purposes, including:Diagnosis of Urinary Tract Diseases: Detects kidney stones, tumors, cysts, and congenital...
375
Peptide Bonds02:43

Peptide Bonds

83.1K
A peptide bond covalently attaches amino acids through a dehydration reaction. One amino acid's carboxyl group and another amino acid's amino group combine, releasing a water molecule. The resulting bond is the peptide bond. The products that such linkages form are peptides. As more amino acids join this growing chain, the resulting chain is a polypeptide. Each polypeptide has a free amino group at one end. This end has the N-terminal, or the amino-terminal, and the other end has a free...
83.1K
Titration in Nonaqueous Solvents01:16

Titration in Nonaqueous Solvents

1.4K
Most acid-base titrations are performed in an aqueous medium. In aqueous titrations, water competes with weaker acids or bases for proton donation or acceptance, leading to ambiguous endpoints in the titration curve. Water also affects the partial ionization of weak acids or bases. For example, water accepts a proton from acetic acid to form hydronium and acetate ions. The hydronium ion formed is a stronger acid than acetic acid, and the acetate ion is a stronger base than water. As a result,...
1.4K
Computed Tomography01:10

Computed Tomography

8.4K
Tomography refers to imaging by sections. Computed tomography (CT) is a non-invasive imaging technique that uses computers to analyze several cross-sectional X-rays to reveal minute details about structures in the body.
The technique was invented in the 1970s and is based on the principle that as X-rays pass through the body, they are absorbed or reflected at different levels. In the technique, a patient lies on a motorized platform while a computerized axial tomography (CAT) scanner rotates...
8.4K
Blood Studies for Cardiovascular System II: CRP, Hcy, and Cardiac Natriuretic Peptide Markers01:19

Blood Studies for Cardiovascular System II: CRP, Hcy, and Cardiac Natriuretic Peptide Markers

604
Cardiac biomarkers are critical in diagnosing, prognosing, and managing cardiovascular diseases. Routine measurement of specific biomarkers such as B-type natriuretic peptide (BNP), C-reactive protein (CRP), and homocysteine (Hcy) is common practice in clinical settings to evaluate heart function and predict cardiovascular events.
These markers indicate stress or strain on the heart muscle:
Natriuretic Peptides (BNP)
Cardiac myocytes produce these hormones in response to ventricular stretching...
604

You might also read

Related Articles

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

Sort by
Same author

Mechanistic Basis of Cholesterol Binding and Transfer in NPC2: Insights From Molecular Dynamics Simulations.

Chembiochem : a European journal of chemical biology·2026
Same author

Molecular insights into human phosphatidylserine synthase 2 and its regulation of SREBP pathways.

Proceedings of the National Academy of Sciences of the United States of America·2025
Same author

Molecular basis of Spns1-mediated lysophospholipid transport from the lysosome.

Proceedings of the National Academy of Sciences of the United States of America·2024
Same author

ATP hydrolysis captured in atomic detail.

Nature chemistry·2024
Same author

Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design.

Chemical science·2021
Same author

Inter-domain dynamics drive cholesterol transport by NPC1 and NPC1L1 proteins.

eLife·2020
Same journal

RETRACTED: Atta et al. Effect of Montmorillonite Nanogel Composite Fillers on the Protection Performance of Epoxy Coatings on Steel Pipelines. <i>Molecules</i> 2017, <i>22</i>, 905.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Chen et al. Chemical Composition of <i>Litsea pungens</i> Essential Oil and Its Potential Antioxidant and Antimicrobial Activities. <i>Molecules</i> 2023, <i>28</i>, 6835.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Ruan et al. Comparison of Extraction, Isolation, Purification, Structural Characterization and Immunomodulatory Activity of Polysaccharides from Two Species of <i>Cistanche</i>. <i>Molecules</i> 2025, <i>30</i>, 4754.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Li et al. Gastrodin Ameliorates Cognitive Dysfunction in Vascular Dementia Rats by Suppressing Ferroptosis via the Regulation of the Nrf2/Keap1-GPx4 Signaling Pathway. <i>Molecules</i> 2022, <i>27</i>, 6311.

Molecules (Basel, Switzerland)·2026
Same journal

Correction: Zueva et al. Steady-State Kinetics of Enzyme-Catalyzed Hydrolysis of Echothiophate, a P-S Bonded Organophosphorus as Monitored by Spectrofluorimetry. <i>Molecules</i> 2020, <i>25</i>, 1371.

Molecules (Basel, Switzerland)·2026
Same journal

1,4-Diazatriphenylene and Its Hetero-Fused Analogs: Synthesis and Applications.

Molecules (Basel, Switzerland)·2026
See all related articles

Related Experiment Video

Updated: Feb 5, 2026

Biotinylated Cell-penetrating Peptides to Study Intracellular Protein-protein Interactions
10:26

Biotinylated Cell-penetrating Peptides to Study Intracellular Protein-protein Interactions

Published on: December 20, 2017

9.9K

Exploring Peptide⁻Solvent Interactions: A Computational Study.

Nadia Elghobashi-Meinhardt1,1

  • 1Theoretical Molecular Biophysics, Department of Physical and Theoretical Chemistry, Institute for Chemistry and Biochemistry, Freie Universität Berlin, Fabeckstr. 36a, 14169 Berlin, Germany. nadia.elghobashi-meinhardt@fu-berlin.de.

Molecules (Basel, Switzerland)
|September 19, 2018
PubMed
Summary
This summary is machine-generated.

Investigating peptide conformations in water, this study uses molecular dynamics (MD) and quantum mechanics/molecular mechanics (QM/MM) to reconcile conflicting data on peptide-solvent interactions and stability.

Keywords:
XAO peptideaqueous solventmolecular dynamics (MD)peptidespolyproline IIquantum mechanics/molecular mechanics (QM/MM)

More Related Videos

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.6K
Identifying Protein-protein Interaction Sites Using Peptide Arrays
07:44

Identifying Protein-protein Interaction Sites Using Peptide Arrays

Published on: November 18, 2014

18.6K

Related Experiment Videos

Last Updated: Feb 5, 2026

Biotinylated Cell-penetrating Peptides to Study Intracellular Protein-protein Interactions
10:26

Biotinylated Cell-penetrating Peptides to Study Intracellular Protein-protein Interactions

Published on: December 20, 2017

9.9K
Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.6K
Identifying Protein-protein Interaction Sites Using Peptide Arrays
07:44

Identifying Protein-protein Interaction Sites Using Peptide Arrays

Published on: November 18, 2014

18.6K

Area of Science:

  • Computational chemistry
  • Biophysics
  • Molecular modeling

Background:

  • The "reconciliation problem" highlights conflicting evidence on solvated peptide chain conformations.
  • Understanding peptide-solvent interactions is crucial for elucidating conformational stability.

Purpose of the Study:

  • To investigate the influence of aqueous solvent on peptide conformations.
  • To reconcile contradictory spectroscopic and MD data for the XAO peptide.

Main Methods:

  • Classical molecular dynamics (MD) simulations.
  • Quantum mechanical/molecular mechanical (QM/MM) energy calculations.
  • Studied model peptides: X 2 A 7 O 2 (XAO) and a 9-mer.

Main Results:

  • MD simulations and QM/MM calculations were performed on XAO and a 9-mer in aqueous solution.
  • Analysis focused on the peptide-solvent interface and electronic structure.
  • Results aim to resolve discrepancies in XAO's conformational behavior.

Conclusions:

  • This integrated computational approach provides insights into peptide conformations in aqueous environments.
  • The study addresses the "reconciliation problem" by examining electronic and solvent effects.