Comparative performance of INAA and other spectroscopy techniques in the elemental analysis of stainless steel materials

Samples of high alloy Stainless Steel SS 1 were analyzed by instrumental neutron activation analysis (INAA) at 5 research institutes in 4 European countries within the frame of an Inter-Laboratory Comparison (ILC) exercise aiming at checking if the results were independent of the standardization methods, and if INAA was accurate enough to contribute to certification. The mean element concentration values yielded by INAA were also compared with mean values obtained by atomic emission spectroscopy techniques at other laboratories that took part in the International Proficiency Testing organized by KIMAB Institute of Sweden, producer of the SS 1. The performances of the nuclear and atomic techniques were compared in terms of the z-score values calculated for 11 element concentrations evaluated by the two analytical ways. Finally, consideration is given to the ways in which highest accuracy and precision can be ensured for certifying stainless steels as CRMs.     

Dipolar correlations and the dielectric permittivity of water

The static dielectric properties of liquid and solid water are investigated within linear response theory in the context of ab initio molecular dynamics. Using maximally localized Wannier functions to treat the macroscopic polarization we formulate a first-principles, parameter-free, generalization of Kirkwood's phenomenological theory. Our calculated static permittivity is in good agreement with experiment. Two effects of the hydrogen bonds, i.e., a significant increase of the average local moment and a local alignment of the molecular dipoles, contribute in almost equal measure to the unusually large dielectric constant of water.     

Charge-Assisted Halogen Bonding in an Ionic Cavity of a Coordination Cage Based on a Copper(I) Iodide Cluster

The design of molecular containers capable of selectively binding specific guest molecules presents an interesting synthetic challenge in supramolecular chemistry. Here, we report the synthesis and structure of a coordination cage assembled from Cu₃I₄⁻ clusters and tripodal cationic N-donor ligands. Owing to the localized permanent charges in the ligand core the cage binds iodide anions in specific regions within the cage through ionic interactions. This allows the selective binding of bromomethanes as secondary guest species within the cage promoted by halogen bonding, which was confirmed by single-crystal X-ray diffraction.     

Water-walking devices

We report recent efforts in the design and construction of water-walking machines inspired by insects and spiders. The fundamental physical constraints on the size, proportion and dynamics of natural water-walkers are enumerated and used as design criteria for analogous mechanical devices. We report devices capable of rowing along the surface, leaping off the surface and climbing menisci by deforming the free surface. The most critical design constraint is that the devices be lightweight and non-wetting. Microscale manufacturing techniques and new man-made materials such as hydrophobic coatings and thermally actuated wires are implemented. Using high-speed cinematography and flow visualization, we compare the functionality and dynamics of our devices with those of their natural counterparts. Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Simultaneous classification of Oranges and Apples Using Grover’s and Ventura’ Algorithms in a Two-qubits System

In the present paper, simultaneous classification of Orange and Apple has been carried out using both Grover’s iterative algorithm (Grover 1996) and Ventura’s model (Ventura and Martinez, Inf. Sci. 124, 273–296, 2000) taking different superposition of two- pattern start state containing Orange and Apple both, one- pattern start state containing Apple as search state and another one- pattern start state containing Orange as search state. It has been shown that the exclusion superposition is the most suitable two- pattern search state for simultaneous classification of pattern associated with Apples and Oranges and the superposition of phase-invariance are the best choice as the respective search state based on one –pattern start-states in both Grover’s and Ventura’s methods of classifications of patterns.     

Computational Design,Synthesis, and Pharmacological Evaluation of Naproxen-Guaiacol Chimera for Gastro-Sparing Anti-Inflammatory Response by Selective COX2 Inhibition

The 4-allyl guaiacol is a natural phenolic molecule that has been widely studied for its antioxidant capacity against reactive-oxygen-species-mediated cellular damage. Therefore, we hypothesized that concomitant use of an antioxidant and NSAID may decrease the risk of gastrointestinal toxicity and make the therapy safer. To address the gastrointestinal toxicity of conventional NSAIDs, a new S-naproxen-4-allyl guaiacol chimera (MAS-1696) was computationally developed, chemically synthesized, and tested for anti-inflammatory effectiveness and gastrointestinal safety. The inhibitory potency of MAS-1696 tested against cyclooxygenase-2 (COX2), 15-lipoxygenase-2 (15-LOX2), and lipoxygenase-5 (5-LOX) in vitro revealed a stronger inhibition of COX2. Furthermore, the MAS-1696 chimera increased the COX selectivity index by 23% as compared to the parent compound naproxen, implying higher efficacy and gastric safety. In vivo data showed that MAS-1696 was less likely to cause gastrointestinal harm than naproxen while also exerting anti-inflammatory and analgesic effects equivalent to or superior to naproxen. In conclusion, MAS-1696 is orally active, bio-labile, and crystalline, making it a medication that may be administered orally.     

Determination of Solifenacin Succinate in Pure and Pharmaceutical Dosage forms by Spectrophotometry

Journal of Analytical Chemistry - Four simple, precise and sensitive visible spectrophotometric methods were developed for the determination of solifenacin succinate in pure and pharmaceutical...     

Hydrothermal synthesis of highly crystalline nanotubes/nanoplates of pure and silver-doped anatase-titania using acid-catalyst-modified sol–gel precursors

Journal of Sol-Gel Science and Technology - Highly crystalline nanotubes/nanoplates of pure and Ag-doped anatase-titania (TiO2) having high aspect-ratio have been synthesized, without the...     

Reversible Supracolloidal Self-Assembly of Cobalt Nanoparticles to Hollow Capsids and Their Superstructures

The synthesis and spontaneous, reversible supracolloidal hydrogen bond-driven self-assembly of cobalt nanoparticles (CoNPs) into hollow shell-like capsids and their directed assembly to higher order superstructures is presented. CoNPs and capsids form in one step upon mixing dicobalt octacarbonyl (Co₂CO₈) and p-aminobenzoic acid (pABA) in 1,2-dichlorobenzene using heating-up synthesis without additional catalysts or stabilizers. This leads to pABA capped CoNPs (core ca. 5 nm) with a narrow size distribution. They spontaneously assemble into tunable spherical capsids (d≈50–200 nm) with a few-layered shells, as driven by inter-nanoparticle hydrogen bonds thus warranting supracolloidal self-assembly. The capsids can be reversibly disassembled and reassembled by controlling the hydrogen bonds upon heating or solvent exchanges. The superparamagnetic nature of CoNPs allows magnetic-field-directed self-assembly of capsids to capsid chains due to an interplay of induced dipoles and inter-capsid hydrogen bonds. Finally, self-assembly on air–water interface furnishes lightweight colloidal framework films.