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Related Concept Videos

Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

Molecular Orbital Energy Diagrams
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

sp3d and sp3d 2 Hybridization

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Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
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Lattice model for parallel and orthogonal beta sheets using hydrogenlike bonding.

J Krawczyk1, A L Owczarek, T Prellberg

  • 1Department of Mathematics and Statistics, The University of Melbourne, 3010, Australia. j.krawczyk@ms.unimelb.edu.au

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|February 1, 2008
PubMed
Summary

This study explores a polymer lattice model where hydrogen bonds control beta sheet formation. Simulations reveal distinct low-temperature structures and phase transitions based on interaction tuning.

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Area of Science:

  • Polymer physics
  • Computational chemistry
  • Statistical mechanics

Background:

  • Beta sheet formation is crucial in protein structure and function.
  • Controlling polymer self-assembly is key to designing novel materials.
  • Understanding phase transitions in polymer models informs material properties.

Purpose of the Study:

  • To investigate a lattice model of polymers with controllable beta sheet formation.
  • To explore how varying hydrogen bond interactions influence polymer structure.
  • To characterize the phase diagram and transitions of the model system.

Main Methods:

  • Development of a lattice model for polymer chains.
  • Simulations to explore the model's behavior under different interaction strengths.
  • Analysis of structural ordering and phase transitions.

Main Results:

  • Demonstrated control over beta sheet formation via hydrogen bond orientation.
  • Identified distinct low-temperature structures with specific orientational order.
  • Generated a phase diagram, classifying phases and transition orders.

Conclusions:

  • The model successfully captures controllable beta sheet formation in polymers.
  • Tuning interaction strengths leads to predictable structural and orientational changes.
  • The findings provide insights into polymer self-assembly and phase behavior.