A Computational Study of CIONO2H+: Structure and Vibrations

Two protonated forms of chlorine nitrate, HClONO⁺ ₂ and ClONO₂H⁺, are treated ab initio by the Hartree-Fock and the second order Møller-Plesset perturbation approach with the standard 6–31G* basis set. Both minimum energy structures are planar (C ₃ symmetry) and their structural, energy, and vibrational parameters are reported. The computations conclude that the proton attacks the chlorine nitrate at its central, not end, oxygen atom. The protonation causes a considerable elongation of the central ON bond which becomes most probable place of cleavage. The dissociation should yield the neutral HOCl and NO⁺ ₂. These quantum-chemical findings well agree with the previous experimental indications.

     

Investigation of Viscosity and Density Versus Temperature in Comparison with 1H Nmr Relaxation time Results for O,M-, P-Xylenes and α -,β-, γ - Picolines

The paper presents the results of density and viscosity measurements in liquid derivatives of benzene and pyridine, well purified, degassed or aerated, depending on temperature, in the whole liquidity range. Gaseous admixtures were found to affect the viscosity of liquids. From one to three Arrhenius regions were observed, depending on the structure and orientational freedom of the molecules. the results are discussed on the background of 1H NMR relaxation time studies with regard to the effect of dipole interactions on the structure of close packing.     

5-(Perfluorooctylthio)acetamidofluorescein (5-FOAF) as a convenient tag for inspecting the surface coverage of fluorinated coatings

Fluorinated compounds are commonly used for anti-stick coating but it is difficult to inspect the coverage of the coating without expensive instruments. Herein, we demonstrated that the 5-(perfluorooctylthio)acetamidofluorescein (5-FOAF) probe can be synthesized in one step and used as a testing reagent to inspect the fluorinated coating on silica- or metal-based surfaces. 5-FOAF is composed of a perfluoroalkyl domain, which has high specific affinity towards fluorinated compounds, and a fluorophore domain, which exhibits fluorescence emission visible by naked eyes. Thus, 5-FOAF will retain on the surface coated with fluorinated compounds but not on the un-coated surface and the emitted fluorescence from the retained tags serves as a semi-quantitative measure of the fluorine coverage across the surface. For this study, silica-based or metal-based surfaces were activated by silane chemistry and then coated with fluorinated compounds. The coating procedure was judiciously optimized to achieve a homogeneous coating. 5-FOAF probe was synthesized in-house and shown to retain on the fluorinated surface 2-5 times stronger than the bare surface. Moreover, by studying the retention on a non-fluoro hydrophobic substrate made of polydimethylsiloxane, the affinity of 5-FOAF with the fluorinated coating was confirmed to be specific and distinguishable from nonspecific hydrophobic interaction. In conclusion, we synthesized a novel chemical, 5-FOAF, and demonstrated its usefulness as a simple testing reagent for fluorinated coatings.     

Single image non-uniformity correction using compressive sensing

A non-uniformity correction (NUC) method for an infrared focal plane array imaging system was proposed. The algorithm, based on compressive sensing (CS) of single image, overcame the disadvantages of “ghost artifacts” and bulk calculating costs in traditional NUC algorithms. A point-sampling matrix was designed to validate the measurements of CS on the time domain. The measurements were corrected using the midway infrared equalization algorithm, and the missing pixels were solved with the regularized orthogonal matching pursuit algorithm. Experimental results showed that the proposed method can reconstruct the entire image with only 25% pixels. A small difference was found between the correction results using 100% pixels and the reconstruction results using 40% pixels. Evaluation of the proposed method on the basis of the root-mean-square error, peak signal-to-noise ratio, and roughness index (ρ) proved the method to be robust and highly applicable.     

Sulfamic Acid: Efficient,Cost-Effective Catalyst for Facile Synthesis of Deazaoxaflavin at Ambient Temperature

A facile, ecofriendly procedure has been developed for the synthesis of substituted 5-deaza-10-oxaflavins by sulfamic acid–catalyzed two-component condensation of salicylaldehyde and barbituric acid at ambient temperature. Mild reaction conditions, short reaction time, ambient temperature, ecofriendly solvent system, wide substrate scope, simple workup procedure, no need for chromatographic separation, and good yields are auxiliary advantages of the present protocol.     

Pseudo‐R 2’s in the ordinal probit model*

This paper presents an analysis of the combining mechanism for status information postulated by the mathematical formulation of the theory of status characteristics and expectation states. Six lemmas on the basic features of the combining mechanism are derived from the formulation and discussed. Further, four theorems that illustrate the implications of the particular combining mechanism for power and prestige orders are presented and proven.     

Research Progress of Lithium Plating on Graphite Anode in Lithium‐Ion Batteries

Lithium plating on graphite anode is triggered by harsh conditions of fast charge and low temperature, which significantly accelerates SOH (state of health) degradation and may cause safety issues of lithium ion batteries (LIBs). This paper has reviewed recent research progress of lithium plating on graphite anode. Firstly, we summarize the forming mechanisms of Li plating with corresponding influence factors, the detecting methods and hazard of Li plating. Then, approaches to suppress Li plating are discussed, including anode surface modification, electrolyte composition optimization and development of optimal charge strategies. Finally, we conclude and propose the remaining challenges and prospects in terms of mechanism research, detecting approaches, and suppressing methods of Li plating. This review highlights the development of Li plating research and plays a guiding rule of further study on Li plating in LIBs.     

Improvements for ground-based remote sensing of atmospheric aerosol properties by additional polarimetric measurements

We discuss the improvements in the aerosol properties characterization resulting from the additional multi-wavelength polarization measurements measured by a new CIMEL polarized sun/sky-photometer, CE318-DP. In order to process direct-sun, sky and polarization measurements in a wide spectral range (340–1640 nm), we developed new calibration methods and strategies, e.g. using the Langley plot method to calibrate both direct-sun irradiance and sky radiance, as well as combining laboratory facilities with a vicarious method to calibrate the polarized sky measurements. For studying the impact of new polarimetric measurements on the retrievals of aerosol properties, we have processed an extensive record of field measurements using an updated Dubovik and King retrieval algorithm [Dubovik O, Sinyuk A, Lapyonok T, Holben BN, Mishchenko MI, et al. Application of spheroid models to account for aerosol particle nonsphericity in remote sensing of desert dust. J Geophys Res 2006;111:D11208.]. A preliminary analysis shows that adding polarization in the inversion can reduce possible errors (notably for about 30% of our field cases) in the fine mode size distribution, real part of refractive index and particle shape parameter retrievals, especially for small particles.     

Effect of finite energy of intravalley acoustic phonons on the temperature of non-equilibrium electrons in a quantum surface

The effect of finite energy of intravalley acoustic phonons on the electric field dependence of the temperature of the non-equilibrium carriers in a quantum surface has been studied here. The calculations have been made, for a rather pure material, at low lattice temperature. Numerical results are obtained for GaAs and Si. The results are interesting being significantly different from what one obtains by neglecting the phonon energy.     

On the cryogenic magnetic transition and martensitic transformation of the austenite phase of 7MoPLUS duplex stainless steel

The magnetic behaviour and martensitic transformation at cryogenic temperatures (down to 4 K) of the austenite phase of the duplex stainless steel (DSS), 7MoPLUS, were studied. As regards the prediction of Neel temperature, the empirical expressions for austenitic stainless steels are not applicable to the austenite phase of 7MoPLUS, although the composition of the austenite phase falls within the composition ranges within which the expressions were developed. Regarding the prediction of martensitic point Ms, the applicability of ‘old’ and recently developed expressions has been examined. The recently developed expressions, which take into account more alloying elements and their interactions, are not suitable for the austenite phase of 7MoPLUS. But for the ‘old’, simpler expressions, they seem to be valid in the sense that they all predict high stability of the austenite phase. Results obtained from 7MoPLUS were qualitatively the same as those obtained from another DSS, designated as 2205. Reasons for the applicability and inapplicability of these empirical expressions are suggested.