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Related Concept Videos

Structures of Solids02:22

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
Unit Cells01:18

Unit Cells

A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...
Ionic Crystal Structures02:42

Ionic Crystal Structures

Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Crystal Density01:19

Crystal Density

The crystal lattice structure of a material allows us to determine how many molecules exist in its unit cell. With this information, alongside the unit-cell parameters - three distance parameters (a, b, c) and three angular parameters (α, β, γ).Density (ρ) = (Z × M) / (a × b × c × NA)where:Z is the number of formula units per unit cellM is the molar mass of the substancea, b, and c are the edge lengths of the unit cellNA is Avogadro’s numberFor a simple cubic lattice, atoms are located only at...

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Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
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In Silicon Deciphering Atomic-Scale Structural Units in Peptide Glass.

Peng Zhou1, Guangle Li1, Xintao Zhu1

  • 1State Key Laboratory of Biopharmaceutical Preparation and Delivery, Institute of Process Engineering, Chinese Academy of Sciences, Beijing, China.

Angewandte Chemie (International Ed. in English)
|July 9, 2026
PubMed
Summary
This summary is machine-generated.

Researchers revealed the atomic structure of peptide glasses using simulations and NMR. They identified key features like conformational heterogeneity and diverse H-bonding, enabling the design of new amorphous materials.

Keywords:
2D NMR fingerprintmolecular simulationsnoncovalent glasspeptidestructural units

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Area of Science:

  • Materials Science
  • Biophysics
  • Chemical Physics

Background:

  • Peptide glasses are promising biofunctional amorphous materials.
  • Their atomic-level structure and organization remain poorly understood.
  • Understanding this structure is crucial for designing novel glassy materials.

Purpose of the Study:

  • To resolve the three-dimensional (3D) atomic-level structure of peptide glasses.
  • To identify defining hallmarks of the glassy state in peptides.
  • To establish a framework for designing functional amorphous peptide materials.

Main Methods:

  • Utilized molecular dynamics simulations.
  • Employed 2D solid-state Nuclear Magnetic Resonance (NMR) fingerprinting.
  • Analyzed a cyclic dipeptide model system.

Main Results:

  • Quantified pronounced conformational heterogeneity, distinguishing glasses from crystals.
  • Observed reorganization of diverse H-bonding types, dependent on annealing rate.
  • Identified dominance of non-hydrogen-bonded contacts, dependent on annealing temperature.
  • Revealed molecular clusters with branched H-bonding topology that reproduce bulk properties.

Conclusions:

  • Established a representative structural unit for amorphous peptide glasses, analogous to crystalline unit cells.
  • Developed a framework to identify structural organization in peptide glasses with varying thermal histories.
  • Paved the way for rational design of functional small-molecule glassy materials.