First hyperpolarizability of bacteriorhodopsin, retinal and related molecules revisited

The previously reported beta values of BR and retinal based chromophores were very high but subsequent measurements found them to be much less. We have found that the beta values of these compounds do not vary so much with experimental conditions as with the method of analysis. Hyper-Rayleigh scattering measurements at 1543 and 1907 nm produce more realistic beta values close to the intrinsic (static) hyperpolarizability, beta(0) which for BR is still very high (275 x 10 (30) esu). The optical nonlinearity of BR arises entirely due to the protonated retinal Schiff Base (PRSB) which in its isolated form has the same intrinsic hyperpolarizability as that of the rotein.

A note on acyclic edge coloring of complete bipartite graphs

An acyclic edge coloring of a graph is a proper edge coloring such that there are no bichromatic (2-colored) cycles. The acyclic chromatic index of a graph is the minimum number k such that there is an acyclic edge coloring using k colors and is denoted by a'(G). Let Delta = Delta(G) denote the maximum degree of a vertex in a graph G. A complete bipartite graph with n vertices on each side is denoted by K-n,K-n. Alon, McDiarmid and Reed observed that a'(K-p-1,K-p-1) = p for every prime p. In this paper we prove that a'(K-p,K-p) <= p + 2 = Delta + 2 when p is prime. Basavaraju, Chandran and Kummini proved that a'(K-n,K-n) >= n + 2 = Delta + 2 when n is odd, which combined with our result implies that a'(K-p,K-p) = p + 2 = Delta + 2 when p is an odd prime. Moreover we show that if we remove any edge from K-p,K-p, the resulting graph is acyclically Delta + 1 = p + 1-edge-colorable. (C) 2009 Elsevier B.V. All rights reserved.

Self-Assembly of Bile Steroid Analogues: Molecules, Fibers, and Networks

Structural and rheological features of a series of molecular hydrogels formed by synthetic bile salt analogues have been scrutinized. Among seven gelators, two are neutral compounds, while the others are cationic systems among which one is a tripodal steroid derivative. Despite the fact that the chemical structures are closely related, the variety of physical characteristics is extremely large in the structures of the connected fibers (either plain cylinders or ribbons), in the dynamical modes for stress relaxation of the associated SAFINs, in the scaling laws of the shear elasticity (typical of either cellular solids or fractal floc-like assemblies), in the micron-scale texture and the distribution of ordered domains (spherulites, crystallites) embedded in a random mesh, in the type of nodal zones (either crystalline-like, fiber entanglements, or bundles), in the evolution of the distribution and morphology of fibers and nodes, and in the sensitivity to added salt. SANS appears to be a suitable technique to infer all geometrical parameters defining the fibers, their interaction modes, and the volume fraction of nodes in a SAFIN. The tripodal system is particularly singular in the series and exhibits viscosity overshoots at the startup of shear flows, an “umbrella-like” molecular packing mode involving three molecules per cross section of fiber, and scattering correlation peaks revealing the ordering and overlap of 1d self-assembled polyelectrolyte species.

Acyclic Edge Coloring of Graphs with Maximum Degree 4

An acyclic edge coloring of a graph is a proper edge coloring such that there are no bichromatic cycles. The acyclic chromatic index of a graph is the minimum number k such that there is an acyclic edge coloring using k colors and is denoted by a'(G). It was conjectured by Alon, Sudakov, and Zaks that for any simple and finite graph G, a'(G) <= Delta+2, where Delta=Delta(G) denotes the maximum degree of G. We prove the conjecture for connected graphs with Delta(G)<= 4, with the additional restriction that m <= 2n-1, where n is the number of vertices and m is the number of edges in G. Note that for any graph G, m <= 2n, when Delta(G)<= 4. It follows that for any graph G if Delta(G)<= 4, then a'(G) <= 7.

Binary decompositions and acyclic schemes

It is well known that the notions of normal forms and acyclicity capture many practical desirable properties for database schemes. The basic schema design problem is to develop design methodologies that strive toward these ideals. The usual approach is to first normalize the database scheme as far as possible. If the resulting scheme is cyclic, then one tries to transform it into an acyclic scheme. In this paper, we argue in favor of carrying out these two phases of design concurrently. In order to do this efficiently, we need to be able to incrementally analyze the acyclicity status of a database scheme as it is being designed. To this end, we propose the formalism of "binary decompositions". Using this, we characterize design sequences that exactly generate theta-acyclic schemes, for theta = agr,beta. We then show how our results can be put to use in database design. Finally, we also show that our formalism above can be effectively used as a proof tool in dependency theory. We demonstrate its power by showing that it leads to a significant simplification of the proofs of some previous results connecting sets of multivalued dependencies and acyclic join dependencies.

Hydroxylation of oxygen-covered Cu(110) and Zn(0001) surfaces by interaction with CH3OH, (CH3)2NH, H2S, HCl and other proton donor molecules

EELS studies provide definitive evidence for the hydroxylation of oxygen-covered Cu(110) and Zn(0001) surfaces on interaction with proton donor molecules such as H2O, CH3OH, HCOOH, NH3 and (CH3)2NH. The occurrence of surface hydroxylation is unambigouusly shown by a study of the interaction of H2S and HCl with an oxygen covered Cu(110) surface.

Side-band intensities in the deuterium magnetic resonance spectra of oriented molecules spinning near the magic angle

The appearance of spinning side bands in the 2H NMR spectra of oriented molecules is investigated. A theoretical interpretation of the side-band intensities is carried out. Information derived on the director orientation and distribution as a function of spinning speedis reported.

A necessary and sufficient condition for acyclic graphs

This letter gives a new necessary and sufficient condition to determine whether a directed graph is acyclic.

Electron-Energy Loss Spectroscopy (Eels) Of Organic-Molecules In Vapor-Phase - Design And Fabrication Of An Indigenous Eel Spectrometer

An indigenous electron energy loss spectrometer has been designed and fabricated for the study of free molecules. The spectrometer enables the recording of low-resolution electronic spectra of molecules inthe vapour phase with ready access to the vacuum ultraviolet region. Electron energy loss spectra of aliphatic alcohols and carbonyl compounds as wellas of benzene derivatives have been recorded with the indigenous spectrometer and the electronic transitions in these molecules discussed.

Jump Reorientation of Water Molecules Confined in Narrow Carbon Nanotubes

We used molecular dynamics (MD) simulations to study the reorientational dynamics of water molecules confined inside narrow carbon nanotubes immersed in a bath of water. Our simulations show that the confined water molecules exhibit bistability in their reorientational relaxation, which proceeds by angular jumps between the two stable states. The angular jump of a water molecule in the bulk involves the breaking of a hydrogen bond with one of its neighbors and the formation of a hydrogen bond with a different neighbor. In contrast, the angular jump of a confined water molecule corresponds to an interchange of the two hydrogen atoms that can form a hydrogen bond with the same neighbor. The free energy barrier between these two states is a few k(B)T. The analytic solution of a simplified two-state jump model that qualitatively explains the reorientational behavior observed in simulations is also presented.

Nuclear Magnetic-Resonance Spectra Of Oriented Biologically Important Molecules - The Structure Of And The Internal-Rotation In N,N-Dimethyluracil

From the proton NMR spectra of Nfl-dimethyluracil oriented in two different nematic solvents, the internal rotation of the methyl groups about the N-C bonds is studied. It has been observed that the preferred conformation of the methyl group having one carbonyl in the vicinity is the one where a C-H bond is in the ring plane pointing toward the carbonyl group. The results are not sensitive to the mode of rotation of the other methyl group. These data are interpreted in terms of the bond polarizations.

Surface-enhanced Raman scattering of molecules adsorbed on nanocrystalline Au and Ag films formed at the organic-aqueous interface

Surface-enhanced Raman scattering (SERS) of pyridine adsorbed on ultrathin nanocrystalline Au and Ag films generated at the liquid-liquid interface has been investigated. The shifts and intensification of bands formed with these films comprising metal nanoparticles are comparable to those found with other types of Au and Ag substrates. SERS of rhodamine 6G adsorbed on Ag films has also been studied. The results demonstrate that nanocrystalline metal films prepared by the simple method involving the organic-aqueous interface can be used effectively for SERS investigations.

Recognition And Top-Down Generation Of Beta-Acyclic Database Schemes

Database schemes can be viewed as hypergraphs with individual relation schemes corresponding to the edges of a hypergraph. Under this setting, a new class of "acyclic" database schemes was recently introduced and was shown to have a claim to a number of desirable properties. However, unlike the case of ordinary undirected graphs, there are several unequivalent notions of acyclicity of hypergraphs. Of special interest among these are agr-, beta-, and gamma-, degrees of acyclicity, each characterizing an equivalence class of desirable properties for database schemes, represented as hypergraphs. In this paper, two complementary approaches to designing beta-acyclic database schemes have been presented. For the first part, a new notion called "independent cycle" is introduced. Based on this, a criterion for beta-acyclicity is developed and is shown equivalent to the existing definitions of beta-acyclicity. From this and the concept of the dual of a hypergraph, an efficient algorithm for testing beta-acyclicity is developed. As for the second part, a procedure is evolved for top-down generation of beta-acyclic schemes and its correctness is established. Finally, extensions and applications of ideas are described.

Podocyte molecules in the pancreas and lymphoid tissues and their association to autoimmunity of diabetes

Type 1 diabetes is a disease where the insulin-producing beta cells of the pancreas are destroyed by an autoimmune mechanism. The incidence of type 1 diabetes, as well as the incidence of the diabetic kidney complication, diabetic nephropathy, are increasing worldwide. Nephrin is a crucial molecule for the filtration function of the kidney. It localises in the podocyte foot processes partially forming the interpodocyte final sieve of the filtration barrier, the slit diaphragm. The expression of nephrin is altered in diabetic nephropathy. Recently, nephrin was found from the beta cells of the pancreas as well, which makes this molecule interesting in the context of type 1 diabetes and especially in diabetic nephropathy. In this thesis work, the expression of other podocyte molecules in the beta cells of the pancreas, in addition to nephrin, were deciphered. It was also hypothesised that patients with type 1 diabetes may develop autoantibodies against novel beta cell molecules comparably to the formation of autoantibodies to GAD, IA-2 and insulin. The possible association of such novel autoantibodies with the pathogenesis of diabetic nephropathy was also assessed. Furthermore, expression of nephrin in lymphoid tissues has been suggested, and this issue was more thoroughly deciphered here. The expression of nephrin in the human lymphoid tissues, and a set of podocyte molecules in the human, mouse and rat pancreas at the gene and protein level were studied by polymerase chain reaction (PCR) -based methods and immunochemical methods. To detect autoantibodies to novel beta cell molecules, specific radioimmunoprecipitation assays were developed. These assays were used to screen a follow-up material of 66 patients with type 1 diabetes and a patient material of 150 diabetic patients with signs of diabetic nephropathy. Nephrin expression was detected in the lymphoid follicle germinal centres, specifically in the follicular dendritic cells. In addition to the previously reported expression of nephrin in the pancreas, expression of the podocyte molecules, densin, filtrin, FAT and alpha-actinin-4 were detected in the beta cells. Circulating antibodies to nephrin, densin and filtrin were discovered in a subset of patients with type 1 diabetes. However, no association of these autoantibodies with the pathogenesis of diabetic nephropathy was detected. In conclusion, the expression of five podocyte molecules in the beta cells of the pancreas suggests some molecular similarities between the two cell types. The novel autoantibodies against shared molecules of the kidney podocytes and the pancreatic beta cells appear to be part of the common autoimmune mechanism in patients with type 1 diabetes. No data suggested that the autoantibodies would be active participants of the kidney injury detected in diabetic nephropathy.

Omega-hydroxylation of acyclic monoterpene alcohols by rat lung microsomes

Rat lung microsomes were shown to ω-hydroxylate acyclic monoterpene alcohols in the presence of NADPH and O2. NADH could neither support hydroxylation efficiently nor did it show synergistic effect. The hydroxylase activity was greater in microsomes prepared from β-naphthoflavone (BNF)-treated rats than from phenobarbital (PB)-treated or control microsomal preparations. Hydroxylation was specific to the C-8 position in geraniol and has a pH optimum of 7.8. The inhibition of the hydroxylase activity by SKF-525A, CO, N-ethylmaleimide, ellipticine, α-naphthoflavone, cyt. Image and p-CMB indicated the involvement of the cyt. P-450 system. However, NaN3 stimulated the hydroxylase activity to a significant level. Rat kidney microsomes were also capable of ω-hydroxylating geraniol although the activity was lower than that observed with lungs.