An infrared and Raman spectroscopic study of some metal pyridine tetracyanonickelate complexes

The results of an infrared and Raman spectroscopic study are presented for seven new metal pyridine tetracyanonickelate complexes, M(py)₂Ni(CN)₄, M = Mn, Co, Fe, Ni, Cu, Zn and Cd. It is shown that the spectra are consistent with a proposed crystal structure for these complexes derived from X-ray diffraction measurements. The spectra can be clearly distinguished from those of analogous Hofmann-type clathrates with which the nickel complex had been previously confused. The copper complex has spectral features different from the other six compounds and an explanation is proposed in terms of a distortion of the general crystal structure due to the Jahn-Teller effect. Analysis of the single, sharp bands of coordinated pyridine offers a method of resolving some difficulties in earlier assignments of the normal modes of the free base. Several modes of coordinated pyridine have upward shifts in frequency compared to those in the free molecule and the shifts are metal dependent. An explanation, supported by a simple normal coordinate analysis on a model, is provided in terms of coupling with low frequency vibrations, particularly the M-N stretching frequency. Other vibrations of the Ni(CN)₄ group, which coordinates to the metals M to form a two-dimensional coordination polymer, are also metal dependent. It is similarly suggested that coupling with low frequency modes is the principal cause of the upward shifts in frequency.     

The Dempster–Shafer calculus for statisticians

The Dempster–Shafer (DS) theory of probabilistic reasoning is presented in terms of a semantics whereby every meaningful formal assertion is associated with a triple (p, q, r) where p is the probability “for” the assertion, q is the probability “against” the assertion, and r is the probability of “don’t know”. Arguments are presented for the necessity of “don’t know”. Elements of the calculus are sketched, including the extension of a DS model from a margin to a full state space, and DS combination of independent DS uncertainty assessments on the full space. The methodology is applied to inference and prediction from Poisson counts, including an introduction to the use of join-tree model structure to simplify and shorten computation. The relation of DS theory to statistical significance testing is elaborated, introducing along the way the new concept of “dull” null hypothesis.     

Deformed gap space using macro-micro FEA model and transferred into a CFD model

Using a cylindrical nozzle and seat of a Pressure Relief Valve (PRV) the surface form and waviness is modelled using actual metrological data i. e. average surface form and waviness (W_a and W_sm) in a symmetry manner. To model the surface waviness the technique used is based on the summing technique created by Tsukizoe & Hisakado [1, 2] for micro contact analysis. Due to the actual surface form measurements being in the micro-meter range, the model is required to incorporate micro and macro-meter dimensions. The material in question is stainless steel. The deformed finite element analysis model is then transferred into a CAD geometry allowing the void space to be meshed and solved using computational fluid dynamics. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Radiological dose assessment of naturally occurring radioactive materials in concrete building materials

Previous studies have shown that the natural radioactivity contained in building materials have significantly influenced the dose rates in dwelling. Exposure to natural radiation in building has been of concerned since almost 80 % of our daily live are spend indoor. Thus, the aim of the study is to assess the radiological risk associated by natural radioactivity in soil based building materials to dwellers. A total of 13 Portland cement, 46 sand and 43 gravel samples obtained from manufacturers or bought directly from local hardware stores in Peninsular of Malaysia were analysed for their radioactivity concentrations. The activity concentrations of ²²⁶Ra, ²³²Th and ⁴⁰K in the studied building materials samples were found to be in the range of 3.7–359.3, 2.0–370.8 and 10.3–1,949.5 Bq kg^?1 respectively. The annual radiation dose rates (μSv year^?1) received by dwellers were evaluated for 1 to 50 years of exposure using Resrad-Build Computer Code based on the activity concentration of ²²⁶Ra, ²³²Th and ⁴⁰K found in the studied building material samples. The rooms modelling were based on the changing parameters of concrete wall thickness and the room dimensions. The annual radiation dose rates to dwellers were found to increase annually over a period of 50 years. The concrete thicknesses were found to have significantly influenced the dose rates in building. The self-absorption occurred when the concrete thickness was thicker than 0.4 m. Results of this study shows that the dose rates received by the dwellers of the building are proportional to the size of the room. In general the study concludes that concrete building materials; Portland cements, sands, and gravels in Peninsular of Malaysia does not pose radiological hazard to the building dwellers.     

Zeaxanthin Production by Novel Marine Isolates from Coastal sand of India and its Antioxidant Properties

Zeaxanthin carotenoids are class of commercially important natural products and diverse biomolecules produced by plants and many microorganisms. Bacteria often produce a cocktail of polar and nonpolar carotenoids limiting their industrial applications. Marine members of the family Flavobacteriaceae are known to produce potential carotenoids such as astaxanthin and zeaxanthin. A few bacterial species have been reported for the predominant production zeaxanthin. Here, we report the molecular identification of the zeaxanthin as a major carotenoid produced by two novel bacteria (YUAB-SO-11 and YUAB-SO-45) isolated from sandy beaches of South West Coast of India and the effect of carbon sources on the production of zeaxanthin. The strains were identified based on the 16S rRNA gene sequencing as a member of genus Muricauda. The closest relatives of YUAB-SO-11 and YUAB-SO-45 were Muricauda aquimarina (JCM 11811^T) (98.9 %) and Muricauda olearia (JCM 15563^T) (99.2 %), respectively, indicating that both of these strains might represent a novel species. The highest level of zeaxanthin production was achieved (YUAB-SO-11, 1.20?±?0.11 mg g^?1) and (YUAB-SO-45, 1.02?±?0.13 mg g^?1) when cultivated in marine broth supplemented with 2 % NaCl (pH 7) and incubated at 30 °C. Addition of 0.1 M glutamic acid, an intermediate of citric acid cycle, enhanced the zeaxanthin production as 18 and 14 % by the strains YUAB-SO-11 and YUAB-SO-45 respectively. The zeaxanthin showed in vitro nitric oxide scavenging, inhibition of lipid peroxidation, and 2,2-diphenyl-1-picryl hydrazyl scavenging activities higher than the commercial zeaxanthin. The results of this study suggest that two novel strains YUAB-SO-11 and YUAB-SO-45 belonging to genus Muricauda produce zeaxanthin as a predominant carotenoid, and higher production of zeaxanthin was achieved on glutamic acid supplementation. The pigment showed good in vitro antioxidant activity, which can be exploited further for commercial applications.     

Flux line lattice symmetries in the borocarbide superconductor LuNi2B2C

We compare the results of small angle neutron scattering on the flux line lattice (FLL) obtained in the borocarbide superconductor LuNi₂B₂C with the applied field along the c- and a-axes. For H‖c the temperature dependence of the FLL structural phase transition from square to hexagonal symmetry was investigated. Above 10 K the transition onset field. H ₂(T), rises sharply, bending away from H _c2(T) in contradiction to theoretical predictions of the two merging. For H‖a a first order FLL reorientation transition is observed at H _tr=3–3.5 kOe. Below H _tr the FLL nearest neighbor direction is parallel to the b-axis, and above H _tr to the c-axis. This transition cannot be explained using nonlocal corrections to the London model.     

Generalized Bellman-Hamilton-Jacobi optimality conditions for a control problem with a boundary condition

In this paper we study conditions for optimality of a deterministic control problem where the state of the system is required to stop at the boundary. Using the Clarke generalized gradient, we refine the classical verification theorem and show that it is not only sufficient but also necessary for optimality. It is also shown that the solution to the generalized Bellman-Jacobi-Hamilton equation involving the Clarke generalized gradient is unique among the class of regular functions.