Fluorescence properties of riboflavin-functionalized mesoporous silica SBA-15 and riboflavin solutions in presence of different metal and organic cations

Riboflavin was covalently linked to mesoporous SBA-15 silica surface via grafting technique. Then fluorescence properties of the system obtained were analyzed in the presence of several metal and organic cations. Both quenching and strengthening of fluorescence as well as significant changes in the maximum fluorescence wavelength were observed. The results were compared with absorption and fluorescence data obtained for riboflavin water solutions.     

The moduli space of flat SU (2) and SO (3) connections over surfaces

All the connected components of the moduli space of flat connections on SU (2) and SO (3) (trivial and non-trivial) bundles over closed oriented surfaces are determined. The symplectic structure and volumes of the non-maximal strata of the moduli space are also determined.     

Interfacial segregation in Ag-Au,Au-Pd,and Cu-Ni alloys: I. (100) surfaces

Atomistic simulations of segregation to (100) free surface in Ag–Au, Au–Pd, and Cu–Ni alloy systems have been performed for a wide range of temperatures and compositions within the solid solution region of these alloy phase diagrams. In addition to the surface segregation profiles, surface free energies, enthalpies, and entropies were determined. These simulations were performed within the framework of the free energy simulation method, in which an approximate free energy functional is minimized with respect to atomic coordinates and atomic site occupation. The effects of the relaxation with respect to either the atomic positions or the atomic concentrations are discussed. For all alloy bulk compositions (0.05 C 0.95) and temperatures (400 T(K) 1,100) examined, Ag, Au, and Cu segregates to the surface in the Ag–Au, Au–Pd, and Cu–Ni alloy systems, respectively. The present results are compared with several theories for segregation. The resultant segregation profiles in Au–Pd and Ag–Au alloys are shown to be in good agreement with an empirical segregation theory, while in Cu–Ni alloys the disagreement in Ni-rich alloys is substantial. The width of the segregation profile is limited to approximately three to four atomic planes. The surface thermodynamic properties depend sensitively on the magnitude of the surface segregation, and some of them are shown to vary linearly with the magnitude of the surface segregation.     

Orientation and order in thin films of a combined liquid crystalline polymer

The order in thin films of a combined liquid crystalline polymer is studied by X-ray reflection. Films of thicknesses of less than 200 nm on float glass are investigated as a function of temperature. The polymer with mesogenic groups in the main and side-chains exhibits smectic and cholesteric mesophases. Measurements in the smectic phases show a Bragg peak and smectic layers are oriented parallel to the substrate. The sample is thus macroscopically ordered by the influence of substrate and free surface. The film surface is very smooth after spincoating; surface roughness is typically 0.8 nm. First annealing of samples leads to a significant roughening of the free surface; roughness increases to 2.1 nm. Order as a function of film thickness depends on the interaction of the polymer with the substrate and free surface. These interactions give rise to a typical correlation length of perturbations in smectic ordering.     

Superhydrophobic nickel films fabricated by electro and electroless deposition

In this work, a superhydrophobic nickel surface is fabricated by coupling electro and electroless deposition without chemical modification. SEM study reveals that electrodeposited nickel surface is characterized by nanocone arrays and has a contact angle of about 135°. After adding electroless deposition, as the second step, hemispherically topped nickel nanocone arrays are formed which leads to a high contact angle of 153.6°. That is, nickel surface has successfully transformed from hydrophobic to superhydrophobic. This transition is investigated both from the aspects of chemical composition and surface structure and proves the latter is the dominant factor. The present study inspires us to do more research about the creation of rough surfaces and enriches our comprehension about superhydrophobicity.     

Improvement of hydrophilic properties of electrospun polyamide-imide fibrous mats by atmospheric-pressure plasma treatment

Polyamide-imide (PAI) fibrous mats were fabricated through electrospinning and further treated with atmospheric-pressure plasma. The surface characteristics of the PAI fibrous mats were examined to determine the effect of plasma treatment on the hydrophilic properties. FT-IR, X-ray photoelectron spectroscopy, and contact-angle analysis indicated that the hydrophilicity of the PAI fibrous mats increased upon the introduction of hydrophilic groups by plasma treatment. The concentration of functional groups, including oxygen, and the surface roughness of the PAI fibrous mats increased with increasing treatment time. The optimum plasma treatment time for surface modification of the PAI fibrous mats under atmospheric pressure was 120 s.     

Mobility as controlled by the transverse component of phonon wave vector in quantum layers at low temperatures

Without resorting to either the Kawaji’s simplified model of interaction with only two-dimensional phonons or to the equipartition approximation for the phonon distribution, the characteristics of the momentum relaxation time of the conduction electrons in a quantized surface layer for interaction with intravalley acoustic phonons have been analysed under the condition of low temperature. The scattering and the mobility characteristics thus obtained for an n-channel (1 0 0)-oriented Si inversion layer are apparently quite different from what follows in the traditional framework.     

OVID and SUPER: Two overlap programs for drug design

Summary Two programs, OVID and SUPER, for exploring the similarity of molecules with respect to their action at a receptor are described. OVID accepts two molecules as input and optimizes the three-dimensional overlap of specified atoms in one molecule with specified atoms in the second molecule. The result is expressed as a percent of the theoretical maximum. OVID gives a quantitative measure of the extent of a guessed correspondence between two molecules based on volume overlap of selected atoms. The Achilles' heel of OVID is that the correspondence between the two molecules has to be guessed. We realized that it would be better to systematically examine all possible correspondences of two structures to minimize the chance of overlooking a superior correspondence. We created SUPER to satisfy this need. SUPER accepts two molecules as input and finds the top twenty correspondences of their surfaces and charge distributions, giving a quantitative measure of the extent of each correspondence. An instructive example of the application of OVID and SUPER to the design of leukotriene D₄ receptor antagonists is described. SUPER appears to be a practical brainstorming tool for the medicinal chemist trying to understand how molecules whose structures may not resemble one another in an obvious way can bind to the same site.     

Interaction of H2S with α-Fe2O3(0 0 0 1) surface

The atomic-scale structural changes in an α-Fe₂O₃ (hematite) (0 0 0 1) surface induced by sulfidation and subsequent oxidation processes were studied by X-ray photoemission spectroscopy, LEED, and X-ray standing wave (XSW) measurements. Annealing the α-Fe₂O₃(0 0 0 1) with a H₂S partial pressure of 1 × 10⁻⁷ Torr produced iron sulfides on the surface as the sulfur atoms reacted with the substrate Fe ions. The oxidation state of the substrate Fe changed from 3+ to 2+ as a result of the sulfidation. The XSW measured distance of the sulfur atomic-layer from the unrelaxed substrate oxygen layer was 3.16 Å. The sulfide phase consisted of three surface domains identified by LEED. Formation of the two-dimensional FeS₂ phase with structural parameters consistent with an outermost layer of (1 1 1) pyrite has been proposed. Atomic oxygen exposure oxidized the surface sulfide to a sulfate () and regenerated the α-Fe₂O₃(0 0 0 1) substrate, which was indicated by a (1 × 1) LEED pattern and the re-oxidization of Fe to 3+.     

Periods of generalized Fermat curves

Let $k,n\ge 2$ be integers. A generalized Fermat curve of type $(k,n)$ is a compact Riemann surface S that admits a subgroup of conformal automorphisms $H\le \text{Aut}(S)$ isomorphic to ${\mathbb{Z}}_k^n$, such that the quotient surface $S/H$ is biholomorphic to the Riemann sphere $\stackrel{?}{\mathbb{C}}$ and has $n+1$ branch points, each one of order k. There exists a good algebraic model for these objects, which makes them easier to study. Using tools from algebraic topology and integration theory on Riemann surfaces, we find a set of generators for the first homology group of a generalized Fermat curve. Finally, with this information, we find a set of generators for the period lattice of the associated Jacobian variety.