Search results for "Surfaces"
showing 10 items of 2837 documents
Photocatalytic partial oxidation of limonene to 1,2 limonene oxide
2018
The silylation of crystalline TiO2 P25, commonly used for photocatalytic degradation of pollutants, results in an exceptionally selective catalyst for the aerobic limonene epoxidation to 1,2-limonene oxide under solar light irradiation. The hypothesized mechanism involves the singlet oxygen generated through energy transfer from the excited TiO2 to adsorbed O2 molecules. The reaction product is the valued precursor of bio-based poly(limonene carbonate), a thermoplastic polymer of superior thermal and optical properties whose industrial production is in need of an efficient green synthesis of limonene oxide.
Selective targeting of PARP-1 zinc finger recognition domains with Au(III) organometallics
2018
The binding of Au(iii) complexes to the zinc finger domain of the anticancer drug target PARP-1 was studied using a hyphenated mass spectrometry approach combined with quantum mechanics/molecular mechanics (QM/MM) studies. Competition experiments were carried out, whereby each Au complex was exposed to two types of zinc fingers. Notably, the cyclometallated Au-C^N complex was identified as the most selective candidate to disrupt the PARP-1 zinc finger domain, forming distinct adducts compared to the coordination compound Auphen.
Supramolecular Design of Low-dimensional Carbon Nano-hybrids encoding a Polyoxometalate-bis-Pyrene Tweezer
2014
A novel bis-pyrene tweezer anchored on a rigid polyoxometalate scaffold fosters a unique interplay of hydrophobic and electrostatic supramolecular interactions, to shape carbon nanostructures (CNSs)-based extended architectures.
Mechanical and Structural Tuning of Reversible Hydrogen Bonding in Interlocked Calixarene Nanocapsules
2019
We present force probe molecular dynamics simulations of dimers of interlocked calixarene nanocapsules and study the impact of structural details and solvent properties on the mechanical unfolding pathways. The system consists of two calixarene "cups" that form a catenane structure via interlocked aliphatic loops of tunable length. The dimer shows reversible rebinding, and the kinetics of the system can be understood in terms of a two-state model for shorter loops (≤14 CH2 units) and a three-state model for longer loops (≥15 CH2 units). The various conformational states of the dimer are stabilized by networks of hydrogen bonds, the mechanical susceptibility of which can be altered by changi…
Time-Resolved Photochemistry of Stiffened Stilbenes
2019
Broadband transient absorption spectroscopy is used to study the photoisomerization of stiffened stilbenes in solution, specifically E/ Z mixtures of bis(benzocyclobutylidene) (t4, c4) and ( E)-1-(2,2-dimethyltetralinylidene)-2-2-dimethyltetraline (t6). Upon excitation to S
Nanoemulsions for synthesis of biomedical nanocarriers
2021
Nanoemulsions are kinetically stabilized emulsions with droplet sizes in the nanometer scale. These nanodroplets are able to confine spaces in which reactions of polymerization or precipitation can take place, leading to the formation of particles and capsules that can act as nanocarriers for biomedical applications. This review discusses the different possibilities of using nanoemulsions for preparing biomedical nanocarriers. According to the chemical nature, nanocarriers prepared in nanoemulsions are classified in polymeric, inorganic, or hybrid. The main synthetic strategies for each type are revised, including miniemulsion polymerization, nanoemulsion-solvent evaporation, spontaneous em…
Grand canonical rate theory for electrochemical and electrocatalytic systems I: General formulation and proton-coupled electron transfer reactions
2020
A generally valid rate theory at fixed potentials is developed to treat electrochemical and electrocatalytic potential-dependent electron, proton, and proton-coupled electron reactions. Both classical and quantum reactions in adiabatic and non-adiabatic limits are treated. The applicability and new information obtained from the theory is demonstrated for the gold catalyzed acidic Volmer reaction.
Elucidation of the Two-Step Damage Formation Process of Latent Tracks in Poly(allyl diglycol carbonate), PADC: Role of Secondary Low-Energy Electrons
2018
The aim of the present study is to evaluate the mechanisms by which secondary electrons of low energy degrade poly(allyl diglycol carbonate) (PADC) when it is used as a Solid State Nuclear Track De...
The wet synthesis and quantification of ligand-free sub-nanometric Au clusters in solid matrices.
2017
© The Royal Society of Chemistry. The synthesis of ligand-free sub-nanometric metal clusters on a large scale suffers typically from very low yields (15% yields, as unambiguously determined using a very simple and extremely sensitive analytical reaction test.
Design of cost-efficient and photocatalytically active Zn-based MOFs decorated with Cu 2 O nanoparticles for CO 2 methanation
2019
<div>Here we show for the first time a MOF that is photocatalytically</div><div>active for the light-assisted CO<sub>2</sub> methanation at mild conditions</div><div>(215 °C) without the inclusion of metallic nanoparticles or any</div><div>sacrificial agent. The presence of Cu<sub>2</sub>O nanoparticles causes a 50 % increase in the photocatalytic activity. These results pave the way to developping efficient and cost-effective materials for CO<sub>2</sub> elimination.</div>