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Recyclable Epoxy Resin via Simultaneous Dual Permanent/Reversible Crosslinking Based on Diels-Alder Chemistry
(Wiley, 2021-09)
Taking advantage of the reversible Diels-Alder (DA) reaction, a simple strategy to obtain recyclable epoxy resins is presented. For this purpose, blends of furan-functionalized and nonfunctionalized epoxy resin are prepared. ...
Photoinduced desorption dynamics of CO from Pd(111): a neural network approach
(American Chemical Society, 2021-07-19)
[EN] Modeling the ultrafast photoinduced dynamics and
reactivity of adsorbates on metals requires including the effect of the
laser-excited electrons and, in many cases, also the effect of the highly
excited surface ...
Enhanced and Reusable Poly(hydroxy urethane)-Based Low Temperature Hot-Melt Adhesives
(American Chemical Society, 2022)
[EN] Poly(hydroxy urethane)s (PHUs) based on 5-membered cyclic carbonates have emerged as sustainable alternatives to conventional isocyanate-based polyurethanes. However, while from the point of view of sustainability ...
Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations
(MDPI, 2021-02-23)
We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation ...
Insights on the Atmospheric-Pressure Plasma-Induced Free-Radical Polymerization of Allyl Ether Cyclic Carbonate Liquid Layers
(MDPI, 2021-08-25)
Plasma-induced free-radical polymerizations rely on the formation of radical species to initiate polymerization, leading to some extent of monomer fragmentation. In this work, the plasma-induced polymerization of an allyl ...
Experiment and Theory Clarify: Sc+ Receives One Oxygen Atom from SO2 to Form ScO+, which Proves to be a Catalyst for the Hidden Oxygen-Exchange with SO2
(Wiley, 2022-03-04)
[EN] Using Fourier-transform ion cyclotron resonance mass spectrometry, it was experimentally determined that Sc+ in the highly diluted gas phase reacts with SO2 to form ScO+ and SO. By O-18 labeling, ScO+ was shown to ...
Stars, combs and bottlebrushes of elastic single-chain nanoparticles
(Elsevier, 2022-10)
Hierarchical self-assembly of structural elements gives rise to superstructures often with outstanding properties when compared to individual elements, as first observed in nature. While folding of individual synthetic ...
Intra- vs Intermolecular Cross-Links in Poly(methyl methacrylate) Networks Containing Enamine Bonds
(American Chemical Society, 2022)
The molecular dynamics of a copolymer composed of methyl methacrylate (MMA) and (2-acetoacetoxy)ethyl methacrylate (AEMA) monomers and the influence on it of intra-to intermolecular cross-links of AEMA units with ethylenediamine ...
How Aromatic Are Molecular Nanorings? The Case of a Six-Porphyrin Nanoring**
(Wiley, 2021-11-02)
Large conjugated rings with persistent currents are novel promising structures in molecular-scale electronics. A six-porphyrin nanoring structure that allegedly sustained an aromatic ring current involving 78 pi electrons ...
A method to estimate the size of single-chain nanoparticles under severe crowding conditions
(Royal Society of Chemistry, 2022-01-05)
[EN] Single-chain nanoparticles (SCNPs) result from the folding of isolated polymer chains via intramolecular interactions. Currently, there is no theory able to rationalize the astonishing conformational behaviour of SCNPs ...