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Molecular Evolution of the Tre Recombinase
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Deprotonation-Induced Phase Evolutions in Co-Assembled Molecular Structures.

Nan Cao1, Jinqiang Ding1, Biao Yang1

  • 1Institute of Functional Nano & Soft Materials (FUNSOM) and Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices , Soochow University , Suzhou 215123 , P. R. China.

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|June 12, 2018
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Summary

This study reveals temperature-driven changes in the co-assembly of 1,3,5-tris(4-carboxyphenyl)benzene (TCPB) and 4,4″-diamino-p-terphenyl (DATP) on silver surfaces. Researchers identified distinct structures formed during deprotonation using self-assembled footprints and DFT calculations.

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Area of Science:

  • Surface science
  • Supramolecular chemistry
  • Materials science

Background:

  • Studying molecular self-assembly on surfaces is crucial for designing advanced materials.
  • Understanding the role of functional groups, like carboxylic acids, in co-assembly is key.
  • The thermal stability of molecules influences their self-assembled structures.

Purpose of the Study:

  • To systematically investigate the co-assembly of 1,3,5-tris(4-carboxyphenyl)benzene (TCPB) and 4,4″-diamino-p-terphenyl (DATP) on a silver surface.
  • To elucidate the temperature-dependent structural evolution of the co-assembled system.
  • To clarify the deprotonation behavior of TCPB and its impact on the co-assembly.

Main Methods:

  • Systematic study of co-assembly on Ag(111) surface.
  • Analysis of temperature-dependent structural changes.
  • Identification of molecular structures using self-assembled footprints.
  • Validation through density functional theory (DFT) calculations.

Main Results:

  • The co-assembly of TCPB and DATP on Ag(111) is temperature-dependent due to the thermal instability of TCPB's carboxylic acid groups.
  • Distinct self-assembled footprints were observed, correlating with different levels of TCPB deprotonation.
  • The complex co-assembly structures at various stages were successfully identified.
  • DFT calculations corroborated the experimental findings.

Conclusions:

  • The deprotonation of TCPB is a critical factor governing the co-assembly structure and its temperature dependence.
  • Self-assembled footprints serve as reliable markers for identifying molecular structures and deprotonation states.
  • The combined experimental and computational approach provides a comprehensive understanding of the TCPB-DATP co-assembly on silver surfaces.