Towards kinetic control of coordination self-assembly: a case study of a Pd3 L6 double-walled triangle to predict the outcomes by a reaction network model

Physical Chemistry Chemical Physics : PCCP
Satoshi TakahashiShuichi Hiraoka

Abstract

Numerical analysis of self-assembly process (NASAP) was performed for a [Pd3L6]6+ double-walled triangle (DWT) complex. With a chemical reaction network and a parameter set of the reaction rate constants obtained from a numerical search in an eighteen-dimensional parameter space to obtain a good fit to the data from the experimental counterpart (quantitative analysis of self-assembly process, QASAP), a refined calculation resulted in a detailed time evolution of each molecular species. Analysis based on those clues revealed dominant self-assembly pathways and a balance between inter- and intramolecular reactions, and enabled prediction of the reaction outcomes depending on the initial stoichiometric ratio under kinetic control.

References

Feb 17, 2001·Current Opinion in Structural Biology·V GrantcharovaA L Horwich
Dec 26, 2001·Chemical Reviews·S LeiningerP J Stang
Aug 29, 2002·Quarterly Reviews of Biophysics·Steven S Plotkin, José N Onuchic
Mar 18, 2004·Chemical Society Reviews·Frank WürthnerChantu R Saha-Möller
Oct 14, 2006·Annual Review of Physical Chemistry·Daniel T Gillespie
Mar 7, 2007·Angewandte Chemie·Kosuke SuzukiMakoto Fujita
Apr 2, 2008·Current Opinion in Structural Biology·Frank Noé, Stefan Fischer
May 8, 2009·Physical Chemistry Chemical Physics : PCCP·Joanne M Carr, David J Wales
Jun 27, 2009·PLoS Computational Biology·Diego Prada-GraciaFernando Falo
Jan 26, 2010·Current Opinion in Structural Biology·David J Wales
Jun 10, 2010·Dalton Transactions : an International Journal of Inorganic Chemistry·Xiaokai SongMyoung Soo Lah
Aug 26, 2011·Chemical Reviews·Rajesh ChakrabartyPeter J Stang
Jan 10, 2014·The Journal of Physical Chemistry. B·Bogdan BarzBirgit Strodel
Aug 3, 2014·The Journal of Chemical Physics·Jacob D Stevenson, David J Wales
Oct 19, 2014·Proceedings of the National Academy of Sciences of the United States of America·S Walter Englander, Leland Mayne
Aug 28, 2015·Chemical Record : an Official Publication of the Chemical Society of Japan ... [et Al.]·Shuichi Hiraoka
Dec 24, 2016·Physical Chemistry Chemical Physics : PCCP·J Hernández-RojasD J Wales
Feb 14, 2017·Physics of Life Reviews·Alexei V FinkelsteinSergiy O Garbuzynskiy
May 11, 2017·Chemical Communications : Chem Comm·Jerelle A JosephDavid J Wales
Jul 15, 2017·Science·Derek N WoolfsonGail J Bartlett
Jul 22, 2017·Physical Chemistry Chemical Physics : PCCP·Yoshihiro MatsumuraHirofumi Sato
Sep 14, 2017·Physical Chemistry Chemical Physics : PCCP·John W R MorganDavid J Wales
Apr 21, 2018·Annual Review of Physical Chemistry·David J Wales
May 22, 2018·Chemical Communications : Chem Comm·Tomoki TateishiShuichi Hiraoka
Dec 14, 2018·Physical Chemistry Chemical Physics : PCCP·Satoshi TakahashiHirofumi Sato
Jan 29, 2019·Journal of the American Chemical Society·Shohei KomineShuichi Hiraoka
Oct 3, 2019·The Journal of Chemical Physics·Daniel J Sharpe, David J Wales
Nov 26, 2019·Journal of the American Chemical Society·Tomoki TateishiShuichi Hiraoka
Mar 11, 2020·Journal of Chemical Theory and Computation·Thomas D Swinburne, David J Wales

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Methods Mentioned

BETA
protein-folding
NMR

Software Mentioned

NASAP
QASAP

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