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  1. Only showing results from pubs.rsc.org

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  2. ter physics,2-4 computational chemistry,5 and computational bi-ology.6 The valence force field (VFF) is one example and has been used to study the thermomechanical properties of graphene and the electronic properties of GaAs,7,8 for instance. In addition, the importance of dynamical properties of low-dimensional ma-
  3. here ϕ (VFF) corresponds to the usual valence force field potential and ϕ (shell) corresponds to the part of the potential arising from the shells and their interactions. Before moving on to our discussion of the shell model we will provide a quick review of valence force models and, more specifically, the SLBP-specific VFF that we use here. 12 VFFs are a general class of simple empirical ...
    Author:Nicholas W. Hackney, Damien Tristant, Andrew Cupo, Colin Daniels, Vincent MeunierPublished:2019
  4. However, the individual fibrils formed by the assembling tripeptides were significantly thicker for the peptides forming self-supporting hydrogels (i.e., 17.1 ± 2.9 nm for vFF and 17.9 ± 2.4 for Vff, Fig. 4 on the left), relative to those forming weak hydrogels (i.e., 11.4 ± 1.2 nm for VfF and 11.3 ± 1.7 for vFf, Fig. 4 on the right). These ...
    Author:S. Marchesan, S. Marchesan, K. E. Styan, C. D. Easton, L. Waddington, Attilio Vittorio VargiuPublished:2015
  5. Change of chirality of the first N-terminal amino acid of tripeptides VFF and FFV from l to d results in self-assembled hydrogels at physiological pH from non-assembling l-analogues. Interestingly, changing the chirality of F yields very different nanostructures; nanotapes are observed for DVFF, twisted fibe
    Author:Silvia Marchesan, Christopher D. Easton, Firdawosia Kushkaki, Lynne Waddington, Patrick G. HartleyPublished:2012
  6. Nov 8, 2024The π-extension of carbon nanorings towards ultrashort carbon nanotubes (CNTs) is a great challenge for synthetic chemists. Herein, we report the synthesis, characterization, and properties of a nanographene-embedded carbon nanoring (NECR) by a direct zipper method. In this approach, a long linear phenyl chain is fused onto the CPP backbone by ...
  7. Dec 7, 2024The SLMFs assembled from LM flakes (L-SLMFs) not only exhibit balanced optical and electrical properties with a figure of merit of 9.67 (sheet resistance R s = 318 Ω sq −1 at transmittance T = 88%) due to the close-packed morphology with significantly reduced inter-flake junctions, but also demonstrate excellent electrothermal conversion ...
  8. Nov 14, 2024We report a visible light-mediated [1 + 2 + 2] cycloaddition reaction between nitroarenes and alkenes, conducted under mild conditions, to synthesize isoxazolidines. This method operates without photocatalysts or transition metal catalysts. Mechanistic studies suggest that under light irradiation, the alkene
  9. With outstanding green-to-red spectral conversion ability, CaS:Eu 2+ is notorious for its poor chemical and thermal stabilities, which seriously limit its practical applications. Herein, we structure core-shell CaS:Eu 2+ @CaZnOS phosphors by a convenient solid-state method. The oxysulfide protection layer was formed due to inward incorporation of ZnO into the surface lattice of the CaS ...
  10. First-principles and many-body perturbation theory calculations demonstrate that indium selenide/antimonene and indium selenide/black phosphorus heterostructures are two promising systems that show an exceptionally large interlayer transition probability (>500 Debye 2). This study enriches the understanding of interlayer exciton formation and ...
  11. Dec 19, 2024Access to relatively high-energy azetidines in enantioenriched form via a function- and diversity-oriented approach is highly desired in the field of drug discovery. Although the demands for α-trifluoromethyl azetidines with great biological potential still exist, effective strategies for the catalytic asymmetric synthesis of these chemical entities with structural diversity remain elusive.

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