Materials Literature
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Abstract We found a series of polymorphs with different colors in 2,5-diamino-3,6-dicyanopyrazine dyes. Their color difference was found to be caused by conformational change in the crystals, not by exciton interactions.
Abstract The mono-urea derivative 3 derived from 4-(2-aminoethyl)pyridine and dodecyl isocyanate gelled aromatic solvents, such as p-xylene, tetralin, and benzene, in the presence of Ag(I). The complex formation by the coordination of two equivalents of mono-urea 3 to Ag(I) and the intermolecular hydrogen bonding betw…
The pressure-induced phase transformations in pure LiAlH4 have been studied using in situ Raman spectroscopy up to 7 GPa. The analyses of Raman spectra reveal a phase transition at approximately 3 GPa from the ambient pressure monoclinic alpha-LiAlH4 phase (P2(1)/c) to a high pressure phase (beta-LiAlH4, reported rece…
In this work, an on-line preparation of peroxymonocarbonate was formed innovatively, which offered a reliable intermediate for further investigation. The forming conditions of on-line peroxymonocarbonate ions were investigated in detail. Meanwhile, the energy transfer chemiluminescent reaction of peroxymonocarbonate a…
We have used dynamic self-consistent field (DSCF) theory to investigate the structural evolution of an ABA block copolymer thin film placed between a solid substrate and a free surface. In line with the few existing theoretical studies for pure homopolymers and mixtures, the free interface is introduced by a void comp…
Adenylate kinase from E. coli (AKeco), folded into domains CORE, AMPbd, and LID, catalyzes the reaction AMP + ATP <--> 2ADP. Previous X-ray crystallography and optical solution methods showed that the domains AMPbd and LID, and the conserved P-loop, execute large-amplitude catalysis-related motions. We used (15)N NMR…
Protein-carbohydrate interactions are increasingly being recognized as essential for many important biomolecular recognition processes. From these, numerous biomedical applications arise in areas as diverse as drug design, immunology, or drug transport. We introduce SLICK, a package containing a scoring and an energy…
Silver nanoparticles were assembled on polyvinylpyridine (PVP) derivatized glass slides. Charge transfer between the adsorbed 4-aminothiophenol (PATP) and the immobilized silver nanoparticles was studied by surface-enhanced Raman spectroscopy with 1064 nm excitation, and compared with that of the silver nanoparticles…
Pyrrolidone carboxyl peptidases (PCPs) from hyperthermophiles have a structurally conserved and completely buried Glu192 in the hydrophobic core; in contrast, the corresponding residue in the mesophile protein is a hydrophobic residue, Ile. Does the buried ionizable residue contribute to stabilization or destabilizati…
An overview of a recent series of ab initio molecular dynamics (MD) simulations for pure liquid transition metals as well as for transition metals (TM) based liquid alloys is presented. The aim is to investigate the local structure of these systems and their evolution upon undercooling, and our results are analyzed th…
The exploration of the chemical diversity space depends on the discovery of novel bioisosteric elements. As a continuation of our project on bilayered arene surrogates, we herein report on [2.2]paracyclophane-derived dopamine D3 receptor antagonists of type 4 and 6. For the most promising test compound 6a, bearing a 2…
Ca 0.95 Sm 0.05 TiO 3 (CT:Sm) powder was prepared by the polymeric precursor method (PPM). Order−disorder at short and long range has been investigated by means of Raman spectroscopy, X-ray diffraction (XRD), and photoluminescence emission (PL) experimental techniques. The broad PL band and the Sm emission spectrum me…
The spatial inhomogeneity and the chain dynamics of polystyrene gels prepared by random cross-linking of functionalized polystyrene in semidilute toluene solution were investigated by static and dynamic light scattering. From polymer concentrations as low as 0.02 g/mL, continuous macroscopic gels were obtained, while…
We present here the study of the photophysical properties of new dye-doped silica nanoparticles (DDNs) bearing dansyl fluorescent derivatives covalently linked to the silica matrix. The described experimental evidences show how the different location of the chromophores induces great changes in their photophysical beh…
The microwave-enhanced synthesis, comparative singlet oxygen sensitization efficiency, and nonlinear optical characterization of a new beta-functionalized porphyrin and its copper complex are described. We show that the introduction of a donor-acceptor push-pull conjugated fragment in the beta position strongly pertur…
Poly(3,4-ethylenedioxythiophene) (PEDOT) is frequently used as a conducting layer in various applications, e.g., organic devices. However, the modification of the precursor 3,4-ethylenedioxythiophene (EDOT) has only very recently received some attention. Here, we report the efficient synthesis of chloromethyl-function…
We have found for the first time significant substituent effects on the light-driven self-assembly of para-substituted azobenzene derivatives and the resulting fluorescence enhancement. The unusual fluorescence enhancement is attributed to the light-driven self-assembly of cis-azobenzenes showing (1) sufficient lifeti…
For precipitation processes, measurement of the nucleation rate as a function of supersaturation is not so easy because the formation of the precipitate is fast and often hard to control due to the high supersaturation. For a number of studies on both ionic and molecular precipitating compounds, the experimental metho…
This paper explores the possibility of using arrays of metallic carbon nanotubes as sensors. Unlike their semiconducting counterparts, single-walled carbon nanotube arrays or networks that are dominated by metallic conduction pathways have not been investigated for their environmental sensitivity. In this work, we dem…
The electrostatic adsorption onto charged surfaces of comb copolymers comprising a polyelectrolyte backbone and pendent PEG side chains, such as poly(l-lysine)-g-poly(ethylene glycol) (PLL-g-PEG), has in previous studies provided protein-repellent thin coatings, particularly on metal oxide surfaces. A drawback of this…