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Exploring the sequence space for (tri-)peptide self-assembly to design and discover new hydrogels.
Peptides that self-assemble into nanostructures are of tremendous interest for biological, medical, photonic and nanotechnological applications. The enormous sequence space that is available from 20Expand
Exploiting the CH-π interactions in supramolecular hydrogels of aromatic carbohydrate amphiphiles
A novel class of supramolecular hydrogels derived from amino sugars is reported, where the self-assembly of aromatic carbohydrate amphiphiles is driven by CH-π interactions, rather than π–π stackingExpand
Effect of alkali on methylene blue (C.I. Basic Blue 9) and other thiazine dyes
A detailed study of the action of alkali on methylene blue (C.I. Basic Blue 9) and other thiazine dyes was carried out through a combination of UV/visible spectroscopy, thin layer chromatography,Expand
Hemiortho esters and hydrotrioxides as the primary products in the low-temperature ozonation of cyclic acetals: an experimental and theoretical investigation.
Besides the hydroxy esters and oxygen (3O2/1O2), dihydrogen trioxide (HOOOH) was formed in the decomposition of most of the acetal hydrotrioxides (ROOOH), investigated. Expand
OMx-D: semiempirical methods with orthogonalization and dispersion corrections. Implementation and biochemical application.
  • T. Tuttle, W. Thiel
  • Chemistry, Medicine
  • Physical chemistry chemical physics : PCCP
  • 10 April 2008
The benefits of augmenting semiempirical methods of the OMx family with an empirical dispersion term (OMx-D) taken from recent density functional work, without modifying the standard OMx parameters are investigated. Expand
Docking, triggering, and biological activity of dynemicin A in DNA: a computational study.
An insertion-intercalation model is developed, which can explain all known experimental observations made for 1 and why large intercalation energies suppress the biological activity of dynemicin and why double-strand scission can be achieved only in a two-step mechanism that involves two enediyne molecules. Expand
Investigation of the NMR spin-spin coupling constants across the hydrogen bonds in ubiquitin: the nature of the hydrogen bond as reflected by the coupling mechanism.
The indirect scalar NMR spin-spin coupling constants across the H-bonds of the protein ubiquitin were calculated, including the Fermi contact, the diamagnetic spin-orbit, the paramagnetic spin-orbit,Expand
KOtBu: A Privileged Reagent for Electron Transfer Reactions?
It is shown that direct electron transfer from KOtBu can however occur in appropriate cases, where the electron acceptor has a reduction potential near the oxidation potential of KOt Bu, and the example that is used is CBr4. Expand
Polymeric peptide pigments with sequence-encoded properties
The use of tyrosine-containing tripeptides as tunable precursors for polymeric pigments and short peptides have low barriers to application and can be easily scaled, suggesting near-term applications in cosmetics and biomedicine. Expand
An Ambipolar BODIPY Derivative for a White Exciplex OLED and Cholesteric Liquid Crystal Laser toward Multifunctional Devices.
A new interface engineering method is demonstrated for the preparation of an efficient white organic light-emitting diode (WOLED) by embedding an ultrathin layer of the novel ambipolar red emissiveExpand