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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Martinez, Todd J.
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Topics
Publications (8/8 displayed)
- 2015Quantum Chemistry for Solvated Molecules on Graphical Processing Units Using Polarizable Continuum Modelscitations
- 2015An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing unitscitations
- 2014Ab Initio Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable Graphical-Processing-Unit-Accelerated Exciton Frameworkcitations
- 2014Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymercitations
- 2013Generating Efficient Quantum Chemistry Codes for Novel Architecturescitations
- 2011Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)citations
- 2009Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementationcitations
- 2008Quantum chemistry on graphical processing units. 1. Strategies for two-electron integral evaluationcitations
Places of action
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article
Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer
Abstract
Biological systems rely on recyclable materials resources such as amino acids, carbohydrates and nucleic acids. When biomaterials are damaged as a result of aging or stress, tissues undergo repair by a depolymerization-repolymerization sequence of remodelling. Integration of this concept into synthetic materials systems may lead to devices with extended lifetimes. Here, we show that a metastable polymer, end-capped poly(o-phthalaldehyde), undergoes mechanically initiated depolymerization to revert the material to monomers. Trapping experiments and steered molecular dynamics simulations are consistent with a heterolytic scission mechanism. The obtained monomer was repolymerized by a chemical initiator, effectively completing a depolymerization-repolymerization cycle. By emulating remodelling of biomaterials, this model system suggests the possibility of smart materials where aging or mechanical damage triggers depolymerization, and orthogonal conditions regenerate the polymer when and where necessary.