PubMed Journal Database | Current medical research and opinion - Page: 5 
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Showing PubMed Articles 101–125 of 430,000+ from current medical research and opinion
We perform molecular dynamics (MD) simulations of the self-assembly process of pseudoisocyanine dye molecules with amphiphilic substituents (amphi-PIC). The spontaneous aggregation of cyanine molecules into large molecular J-aggregates with optical functionality has drawn attention for many decades already, but the shape and molecular structure of the aggregates remain issues of debate, as current imaging techniques still lack molecular scale resolution. Our MD simulations for amphi-PIC predict the existenc...
The Nature of the Interaction of Dimethylselenide with IIIA Group Element Compounds.
The first systematic theoretical study of the nature of intermolecular bonding of dimethylselenide as donor and IIIA group element halides as acceptors was made with the help of the approach of Quantum Theory of Atoms in Molecules. Density Functional Theory with "old" Sapporo triple-ζ basis sets was used to calculate geometry, thermodynamics, and wave function of Me2Se···AX3 complexes. The analysis of the electron density distribution and the Laplacian of the electron density allowed us to reveal and ex...
Carbon-based films: Dopamine was used as the precursor for the facile yet controllable production of a highly stretchable transparent conductive film. The film synthesized is transparent and can reversibly withstand mechanical deformations (such as being stretched to 20 % for 100 cycles).
Of graphs and graphenes: molecular design and chemical studies of aromatic compounds.
All things graphene: Within the graph of graphene one finds subgraphs for a myriad of novel aromatic hydrocarbons. For example, defining the vertices of a C3 subgraph within graphene evokes higher-order structures simply by changing the length of the ring fusion links. Analogously, the C6 transformation yields coronene and kekulene.
Film review: Two amide-containing bisolefin monomers undergo solid-state polymerization (see example) through a [2+2] reaction in a single-crystal-to-single-crystal fashion. The transformation was favored by the self-templating and shock-absorbing nature of hydrogen-bonding layers. The pyridine-containing polymers were soluble and useful for making plastic films with considerable tensile strengths.
Cross-dehydrogenative coupling of various terminal alkynes and monohydrosilanes efficiently proceeded in the presence of gold supported on OMS-2 (Au/OMS-2) using O2 as a terminal oxidant, affording the corresponding alkynylsilanes in moderate to high yields. The observed catalysis was truly heterogeneous, and the catalyst could be reused at least ten times without a significant loss of its high catalytic performance.
Enzyme promiscuity: using a p450 enzyme as a carbene transfer catalyst.
How about this for a change: The promiscuous enzyme cytochrome P450-BM3 catalyzes the cyclopropanation of olefins, sometimes with high stereoselectivity. The highlighted paper demonstrates that it is possible to design unusual enzyme promiscuity.
Collagen-like Cell-Penetrating Peptides.
Arginine-rich heterotrimeric collagen-like peptides were prepared, and their cellular uptake efficiency was evaluated. The spatial arrangement of the Arg residues (blue in picture) on the triple-helix surface significantly affected the efficacy of the cellular uptake. The collagen-like triple-helical conformation provides these cell-penetrating peptides with a high resistance to proteases. O=L-4-hydroxyproline.
Palladium-catalyzed selective anti-markovnikov oxidation of allylic esters.
An aldol alternative: The palladium(II)-catalyzed anti-Markovnikov oxidation of allylic esters to aldehydes at room temperature provides a viable alternative to valuable cross aldol products. High regioselectivity towards the aldehyde product was achieved using the ester protecting group for the allylic alcohol. Rapid isomerization and the much higher rate of oxidation of the branched isomer result in the same product forming from both linear and branched allylic esters.
Treatment of germacrone (1) with different electrophiles, and of its epoxy derivatives germacrone-4,5-epoxide (2), germacrone-1,10-epoxide (3) and isogermacrone-4,5-epoxide (4) with Brönsted/Lewis acids and Ti(III) , gives rise to a great structural diversity. Thus, by using a maximum of two steps, the production of more than 40 compounds corresponding to 14 skeletons is described. Computational calculations rationalizing the structural divergence produced are also described. Finally, since some of the com...
Managing the Mannich: The first enantioselective vinylogous Mannich reaction of siloxyfurans with ketimines derived from unactivated ketones has been developed. Excellent yields and enantioselectivities were obtained using a new class of readily accessible cinchona alkaloid amide/Cu(OAc)2 catalysts on a range of substrates.
Inelastic neutron scattering (INS) has been used to obtain the vibrational spectrum of a technical-grade iron-based Fischer-Tropsch catalyst that has been taken from an industrial large-scale unit operation. Whereas previous reports on iron Fischer-Tropsch catalysts highlight the presence of retained carbonaceous species, the INS spectra reveal the additional presence of partially hydrogenated aromatic molecules.
The active state of a catalyst: A high-pressure scanning tunneling microscope (STM) was used to bridge the pressure gap for the Ag-catalyzed ethylene epoxidation. An active oxygen species on an Ag(111) single crystal was characterized under ultrahigh vacuum conditions. The same species was identified with STM in an ethylene/oxygen mixture. In the STM cell the formation of ethylene oxide was detected.
Oxygen-saturation targets in extremely preterm infants.
Government's role in protecting health and safety.
High-resolution infrared and electron-diffraction studies of trimethylenecyclopropane (3-radialene).
Combined high-resolution spectroscopic, electron-diffraction, and quantum theoretical methods are particularly advantageous for small molecules of high symmetry and can yield accurate structures that reveal subtle effects of electron delocalization on molecular bonds. The smallest of the radialene compounds, trimethylenecyclopropane, [3]-radialene, has been synthesized and examined by these methods. The first high-resolution infrared spectra have been obtained for this molecule of D3h symmetry, leading to a...
We report a new strategy to selectively localize and control microtubule translocation via electrical control of microtubules using a microfabricated channel on a functionalized-graphene electrode with high transparency and conductivity. A patterned SU-8 film acts as an insulation layer which shields the electrical field generated by the graphene underneath while the localized electric field on the exposed graphene surface guides the negatively charged microtubules. This is the first report showing that fun...
Persistence length and stochastic fragmentation of supramolecular nanotubes under mechanical force.
Cyclic peptide nanotubes (CPNs) exhibit impressive structural, mechanical and chemical properties in resemblance to beta-sheet proteins found in silks and amyloids, and show potential as supramolecular nanotubes that can be utilized to generate novel nanocomposites and nanoporous thin films. Quantifying the persistence length and thermomechanical fragmentation of CPNs is of great importance for establishing a theoretical basis of how to generate rectilinear nanostructures with controlled aspect ratio and ri...
Influence of the photothermal effect of a gold nanorod cluster on biofilm disinfection.
We evaluate a method for biofilm disinfection by raising biofilm temperature using the photothermal effect of a gold nanorod cluster. Gold nanorods (GNRs) are capable of generating enough heat to lyse bacteria by heating biofilm via laser irradiation. To test this, GNRs are synthesized using wet chemistry and a single GNR cluster is fabricated using photo-lithography technique. The GNR cluster is directly applied to the biofilm and its effects on bacteria are measured before and after laser irradiation. The...
Fabrication of TiO2 nano-to-microscale structures using UV nanoimprint lithography.
TiO2-nanoparticle-dispersed resin was prepared to form various nanoscaled structures using UV nanoimprint lithography (UV NIL). This resin-made of TiO2 nanoparticles, a monomer, solvent, and UV initiator-showed variations in refractive index depending on the nanoparticle concentration. TiO2 nano-to-microscale patterns were fabricated on various substrates such as Si wafer and glass, and even on flexible substrates, by using UV NIL, which offers advantages such as low cost, large area, and high throughput. L...
Solution-processed zinc oxide (ZnO) thin films are promising candidates for low-temperature-processable active layers in transparent thin film electronics. In this study, control of growth rate anisotropy using ZnO nanoparticle seeds, capping ions, and pH adjustment leads to a low-temperature (90 ° C) hydrothermal process for transparent and high-density ZnO thin films. The common 1D ZnO nanorod array was grown into a 2D continuous polycrystalline film using a short-time pure solution method. Growth rate...
Tetra[2,3-thienylene] planarised by sulphur bridges and radially π-extended with (triisopropylsilyl)ethynyl groups had a narrow HOMO-LUMO gap due to the antiaromatic cyclooctatetraene core, and its single crystal FET device exhibited ambipolar characteristics with hole and electron mobilities of up to 0.40 and 0.18 cm(2) V(-1) s(-1), respectively.
The compensated Arrhenius formalism (CAF) is applied to conductivity and diffusion data for a family of cyclic carbonates composed of octylene carbonate, decylene carbonate, undecylene carbonate, and dodecylene carbonate. The strong intermolecular interactions in these liquids lead to diffusion activation energies that are higher than those for typical aprotic solvents. The conductivity results show that activation energies are similar between TbaTf and LiTf cyclic carbonate electrolytes. However, the condu...
Comment on "the landau-zener formula".
