The assignment of quantum numbers in the theoretical spectra of the H2 16O, H2 17O, and H2 18O molecules calculated by variational methods in the region 0–26000 cm−1

Quantum numbers have been assigned in the theoretical spectra of three isotopologues of the water molecule: H₂ ¹⁶O, H₂ ¹⁷O, and H₂ ¹⁸O. The spectra were calculated by variational methods in the region 0–26000 cm^?1 at a temperature of 296 K. For each molecule, the quantum numbers are assigned to more than 28000 levels. The quantum numbers are assigned to 216766, 210679, and 211073 spectral lines of the H₂ ¹⁶O, H₂ ¹⁷O, H₂ ¹⁸O molecules, respectively. The theoretical spectra with the assigned quantum numbers are available in the Internet.     

A self-dual variational approach to stochastic partial differential equations

Unlike many of their deterministic counterparts, stochastic partial differential equations are not amenable to the methods of calculus of variations à la Euler–Lagrange. In this paper, we show how self-dual variational calculus leads to variational solutions of various stochastic partial differential equations driven by monotone vector fields. We construct solutions as minima of suitable non-negative and self-dual energy functionals on Itô spaces of stochastic processes. We show how a stochastic version of Bolza's duality leads to solutions for equations with additive noise. We then use a Hamiltonian formulation to construct solutions for non-linear equations with non-additive noise such as the stochastic Navier–Stokes equations in dimension two.     

A novel electrochemical biosensor based on the electrospun nanofibrous nanocomposites of PCL-PPy-MWCNT towards determination of TNF-α biomarker

Journal of Solid State Electrochemistry - For TNF detection, a novel electrochemical biosensor based on the PCL-PPY-MWCNT electrospun nanofiber was developed in this study. TNF is a potent...     

Approaching the full set of energy levels of water

We report here the measurements of rovibrational levels in the electronic ground state of water molecule at the previously inaccessible energies above 26,000 cm(-1). The use of laser double-resonance overtone excitation extends this limit to 34,200 cm(-1), which corresponds to 83% of the water dissociation energy. We use experimental data to generate a semiempirical potential energy surface that now allows prediction of water levels with sub-cm(-1) accuracy at any energy up to the new limit.     

Compatibilized PP/EPDM/PA6 ternary blends: extended morphological studies

Polypropylene (PP)/polyamide6 (PA6)/ethylene propylene diene monomer (EPDM) (70/15/15) ternary polymer blends compatibilized with maleic‐anhydride‐grafted EPDM (EPDM‐g‐MA) were prepared by melt blending using a twin‐screw extruder (TSE) in different processing conditions (barrel temperature profile, screw speed, and mixing sequence). The microstructures of prepared ternary blends were studied and compared to the predictions of spreading coefficient, minimum relative interfacial energy (RIE), and dynamic interfacial energy phenomenological models. The observed morphologies were somehow different from the model predictions. Copyright © 2011 John Wiley & Sons, Ltd.     

Effects of Hofmeister anions on the flocculation behavior of temperature-responsive poly(N-isopropylacrylamide) microgels

Effects of some sodium salts (NaCl, NaClO₃, and NaSCN) in the Hofmeister series on deswelling and temperature-induced aggregation behavior of microgels of poly(N-isopropylacrylamide) (PNIPAAM) and PNIPAAM-co-PAA with attached poly(acrylic acid) moieties were investigated with the aid of turbidimetry and dynamic light scattering. Addition of salt in the concentration range 0.1–0.5?M generated aggregation of the PNIPAAM microgel particles at elevated temperatures, but it was no distinct difference between chaotropic and kosmotropic anions. In contrast, the flocculation behavior at high temperatures for PNIPAAM-co-PAA revealed a prominent influence of salinity and type of anion on the formation of aggregates. The aggregation transition was shifted to the highest temperature for the most chaotropic anion (SCN^?), and the aggregation transition at the same salt concentration is consistent with the typical Hofmeister series. The turbidity results from the PNIPAAM-co-PAA microgels disclosed a two-step transition for the considered anions, and both a low and high temperature change in the turbidity data was observed. The high-temperature transition followed the Hofmeister series.     

Regioselective multi-component synthesis of 1H-pyrazolo[3,4-d]pyrimidine-6(7H)-thiones

A variety of pyrazolo[3,4-d]pyrimidine-6(7H)-thione derivatives were easily synthesized with a novel, simple, efficient, and regioselective method via three-component condensation reaction of 5-methyl-1H-pyrazol-3-amine, arylisothiocyanates, and aldehydes in the presence of catalytic amount of p-toluenesulfonic acid (p-TSA) in 1-butyl-3-methylimidazolium bromide ionic liquid with excellent yields and short reaction times.     

Hydrogen exchange mass spectrometry as an analytical tool for the analysis of amyloid fibrillogenesis

In this study, we have used glucagon as a model system for analyzing amyloid fibrillogenesis by hydrogen exchange MALDI mass spectrometry (HXMS). The hydrogen exchange mass spectrometry data correlated well with the traditional method based on Thioflavin T fluorescence and provided quantitative information by measuring the fibrillating molecules directly. The hydrogen exchange mass spectrometry data collected during fibrillogenesis revealed that glucagon fibrillation was a two component system showing an on/off type of interaction where only monomeric and fibrils were present without any substantial amount of intermediate species. This was evident by the extensive deuteration of the monomer and protection of the entire 29 residue glucagon peptide upon fibrillation.. The method complements the traditional procedures and has the potential to provide new information with respect to the nature of transient species, the structure of the growing fibrils and the mechanism of formation.     

Survival of Threshold Contact Processes

We consider the d-dimensional threshold contact process. Suppose that a vacant site becomes occupied at rate one when there are at least occupied sites in its neighborhood, and the death rate at any site is >0. We will explicitly give two integers ab with the following properties: For a the process survives starting from finite configurations when is small, but for >a the process dies out starting from any finite configuration with any positive death rate. For b the process has a nontrivial invariant measure when is small, but for >b the only invariant measure is the all-zero configuration for any positive death rate.