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Related Concept Videos

Introduction to Chemical Bonds01:01

Introduction to Chemical Bonds

Chemical Bonds
The electrons of the outermost energy level determine the energetic stability of the atom and its tendency to form chemical bonds with other atoms. The innermost electron shell has a maximum capacity of two electrons, but the next two electron shells can each have a maximum of eight electrons. This is known as the octet rule, which states that, with the exception of the innermost shell, atoms are most stable energetically when they have eight electrons in their valence shell, the...
Cohesion01:07

Cohesion

Cohesion is the attraction between molecules of the same type, such as water molecules. Water molecules have an overall neutral charge but are polar molecule. An oxygen atom in one water molecule has a partial negative charge that can bind to a hydrogen atom with a partial positive charge in a second water molecule, forming a hydrogen bond. Each water molecule can form up to four hydrogen bonds with other water molecules. Hydrogen bonds are responsible for water's cohesive nature.
On a surface,...
Noncovalent Attractions in Biomolecules02:35

Noncovalent Attractions in Biomolecules

Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
Noncovalent Attractions in Biomolecules02:35

Noncovalent Attractions in Biomolecules

Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
Ligand Binding Sites02:40

Ligand Binding Sites

Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
Ligand Binding Sites02:40

Ligand Binding Sites

Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...

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Related Experiment Video

Updated: Jun 4, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
10:28

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

A tight binding model for water.

A T Paxton1, J J Kohanoff

  • 1Atomistic Simulation Centre, School of Mathematics and Physics, Queen's University Belfast, Belfast BT7 1NN, United Kingdom.

The Journal of Chemical Physics
|February 2, 2011
PubMed
Summary

This study introduces a new tight binding model for water, accurately predicting liquid water properties like dielectric constant and diffusion. The model captures the dipole moment increase in water clusters, offering insights into hydrogen bonding.

Area of Science:

  • Computational chemistry
  • Materials science
  • Physical chemistry

Background:

  • Accurate modeling of water's properties is crucial for understanding its behavior.
  • Existing models often fail to capture key phenomena like dipole moment changes in clusters.

Purpose of the Study:

  • To develop a novel "ground up" tight binding model for water.
  • To accurately predict properties of water clusters, ice-XI, and liquid water.
  • To reproduce the significant increase in molecular dipole moment observed in water clusters.

Main Methods:

  • Developed a tight binding model focusing on polarizable oxygen atoms.
  • Fitted model parameters using only monomer and dimer properties.
  • Applied the model to predict structures and properties of hexamer clusters, ice-XI, and liquid water.

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Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates
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Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates

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Related Experiment Videos

Last Updated: Jun 4, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
10:28

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates
06:48

Single-Molecule Measurement of Protein Interaction Dynamics Within Biomolecular Condensates

Published on: January 5, 2024

Main Results:

  • The model successfully predicts the structure and properties of hexamer clusters, ice-XI, and liquid water.
  • It accurately reproduces the nearly two-fold increase in molecular dipole moment in larger water clusters.
  • Key properties of liquid water, including dielectric constant and self-diffusion coefficient, show excellent agreement with experimental data.

Conclusions:

  • The developed tight binding model offers a robust approach for simulating water.
  • The model's ability to capture dipole moment changes provides new insights into hydrogen bonding.
  • This work advances the understanding of water's unique properties and the differences between water and ice densities.