Understanding the unusual stiffness of hydrophobic dipeptide crystals

Literature Information

Publication Date 2021-04-27
DOI 10.1039/D0CP06018F
Impact Factor 3.676
Authors

Jorge M. del Campo, Joel Ireta


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Abstract

The hydrophobic diphenylalanine peptide crystal is known to be unusually stiff, with an experimental Young's modulus in the range of 19–27 GPa. Here it is shown by means of density functional theory calculations that phenylalanine–leucine, leucine–phenylalanine, alanine–valine, valine–alanine and valine–valine hydrophobic dipeptide crystals are also unusually stiff, with Young's moduli in the range of 19.7–33.3 GPa. To further our understanding of the origin of that unusual stiffness, a linear correlation is established between Young's modulus and the strength and orientation of the hydrogen bond network developed along the crystals, showing that stiffness in these materials is primarily dictated by hydrogen bonding.

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Front cover

Cover

DOI: 10.1039/C6CP90183B

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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