Radiative carrier recombination dependent on temperature and well width of InGaN/GaN single quantum well

Photoluminescence (PL) spectra and time-resolved PL are measured from around 10 to 300 K for the InGaN/GaN single quantum wells (SQWs) with well widths of 1.5, 2.5, 4 and 5 nm. For the SQWs with the well widths of 1.5 and 2.5 nm, the peak position of PL exhibits an S-shaped shift with increasing temperature. The radiative recombination time τ_RAD begins to increase at the temperature for the position to change from the red-shift to the blue-shift. The steep increase of τ_RAD is observed beyond the temperature from the blue-shift to the red-shift. For the SQWs with the well widths of 4 and 5 nm, the peak position of PL exhibits a monotonic red-shift. τ_RAD decreases at first and then increases with temperature. It is about 100-times longer in the low temperature region and about 10-times longer at room temperature as compared with those of the SQWs with narrower widths.     

8-Hydroxyquinoline derivative as a fluorescent chemosensor for zinc ion.

8-Hydroxyquinoline derivative 1 as a fluorescent chemosensor for Zn2+ was synthesized. Because Cd2+ is often found with Zn2+ in the environment and can form fluorescent complexes with chelating fluorophores, a potentially important property of chemosensors for Zn2+ is their selectivity for Zn2+ over Cd2+. The Zn2+ or Cd2+ complexes of 1 gave an emission band from the 1:1 complex, but the fluorescence intensity for Cd2+ was a half of that for Zn2+. Ligand 1 is suited for use as a fluorescent chemosensor for Zn2+.     

Oblique interactions of weakly nonlinear long waves in dispersive systems

Studies on the oblique interactions of weakly nonlinear long waves in dispersive systems are surveyed. We focus mainly our concentration on the two-dimensional interaction between solitary waves. Two-dimensional Benjamin–Ono (2DBO) equation, modified Kadomtsev–Petviashvili (MKP) equation and extended Kadomtsev–Petviashvili (EKP) equation as well as the Kadomtsev–Petviashvili (KP) equation are treated. It turns out that a large-amplitude wave can be generated due to the oblique interaction of two identical solitary waves in the 2DBO and the MKP equations as well as in the KP-II equation. Recent studies on exact solutions of the KP equation are also surveyed briefly.     

Rattling in the Quadruple Perovskite CuCu3V4O12

Of particular interest is a peculiar motion of guest atoms or ions confined to nanospace in cage compounds, called rattling. While rattling provides unexplored physical properties through the guest–host interactions, it has only been observed in a very limited class of materials. Herein, we introduce an A‐site‐ordered quadruple perovskite, CuCu₃V₄O₁₂, as a new family of cage compounds. This novel AA′₃B₄O₁₂‐type perovskite has been obtained by a high‐pressure synthesis technique and structurally characterized to have cubic Im$\bar 3$ symmetry with an ionic model of Cu²⁺Cu²⁺₃V⁴⁺₄O₁₂. The thermal displacement parameter of the A‐site Cu²⁺ ion is as large as U_iso≈0.045 Ų at 300 K, indicating its large‐amplitude thermal oscillations in the oversized icosahedral cages. Remarkably, the presence of localized phonon modes associated with rattling of the A‐site Cu²⁺ ion manifests itself in the low‐temperature specific heat data. This work sheds new light on the structure–property relations in perovskites.     

Calibration transfer employing univariate correction and robust regression

This paper proposes a new method for calibration transfer, which was specifically designed to work with isolated variables, rather than the full spectrum or spectral windows. For this purpose, a univariate procedure is initially employed to correct the spectral measurements of the secondary instrument, given a set of transfer samples. A robust regression technique is then used to obtain a model with low sensitivity with respect to the univariate correction residuals. The proposed method is employed in two case studies involving near infrared spectrometric determination of specific mass, research octane number and naphthenes in gasoline, and moisture and oil in corn. In both cases, better calibration transfer results were obtained in comparison with piecewise direct standardization (PDS). The proposed method should be of a particular value for use with application-targeted instruments that monitor only a small set of spectral variables.     

Validated method using liquid chromatography-electrospray ionization tandem mass spectrometry for the determination of contamination of the exterior surface of vials containing platinum anticancer drugs

Contamination of the exterior surface of vials of cytostatic drugs by the drugs themselves is a potential hazard to human health. This study developed a validated method using liquid chromatography-electrospray ionization tandem mass spectrometry (LC-ESI-MS/MS) for the determination of contamination of the exteriors of vials of cisplatin and carboplatin. Large Alpha^® sampling swabs were employed to wipe the vial exterior. Cisplatin or carboplatin and gold(III) as an internal standard were derivatized by N,N-diethyldithiocarbamate (DDTC). Pt(DDTC)₃⁺ and Au(DDTC)₂⁺ were monitored by the respective transitions of m/z 639.3-490.9 and 493.0-345.0, respectively. Each separation was completed within 9 min using a 3 μm particle ODS-column. Calibration curves for cisplatin and carboplatin were linear over concentration ranges of 30-10,000 and 30-30,000 pg vial⁻¹, respectively. The accuracies and precisions were 96.1-102.5% and within 8.2% for intra-assay and 99.6-103.3% and within 7.6% for inter-assay, respectively. Their lower limit of quantification was 30 pg vial⁻¹. Amounts of 0.17-17.0 ng vial⁻¹ as cisplatin and 0.48-794 ng vial⁻¹ as carboplatin were detected from the exterior surface of the vials. This validated method using LC-ESI-MS/MS for the determination of platinum anticancer drugs is helpful for monitoring contamination of the exterior surface of drug vials.     

A modification of the successive projections algorithm for spectral variable selection in the presence of unknown interferents

This work proposes a modification to the successive projections algorithm (SPA) aimed at selecting spectral variables for multiple linear regression (MLR) in the presence of unknown interferents not included in the calibration data set. The modified algorithm favours the selection of variables in which the effect of the interferent is less pronounced. The proposed procedure can be regarded as an adaptive modelling technique, because the spectral features of the samples to be analyzed are considered in the variable selection process. The advantages of this new approach are demonstrated in two analytical problems, namely (1) ultraviolet–visible spectrometric determination of tartrazine, allure red and sunset yellow in aqueous solutions under the interference of erythrosine, and (2) near-infrared spectrometric determination of ethanol in gasoline under the interference of toluene. In these case studies, the performance of conventional MLR-SPA models is substantially degraded by the presence of the interferent. This problem is circumvented by applying the proposed Adaptive MLR-SPA approach, which results in prediction errors smaller than those obtained by three other multivariate calibration techniques, namely stepwise regression, full-spectrum partial-least-squares (PLS) and PLS with variables selected by a genetic algorithm. An inspection of the variable selection results reveals that the Adaptive approach successfully avoids spectral regions in which the interference is more intense.     

Potential energy curve for ring-opening reactions: comparison between broken-symmetry and multireference coupled cluster methods

The spin-unrestricted Hartree-Fock (UHF)-based coupled cluster singles and doubles (UHF-CCSD) and Mukherjee's state-specific multireference CCSD (MkCCSD) methods are applied to four ring-opening reactions. The spin-restricted Hartree-Fock (RHF)-based CCSD (RHF-CCSD) calculations are also performed for comparison. In the case of the UHF-CCSD method, an approximate spin-projection (AP) method is applied to the broken-symmetry (BS) singlet solution to remove the spin contamination effect. For potential energy curves (PECs) of all reactions presented in this study, the results of RHF-CCSD and UHF-CCSD are substantially different from those of MkCCSD, while the results after the AP method (AP-UCCSD) reproduce the MkCCSD results well. It strongly suggests that the spin contamination effect should be removed by the AP correction even at the UHF-CCSD level to predict reliable energetics of these reactions.     

Properties of ionic liquids containing silver(I) or protic alkylethylenediamine cations with a bis(trifluoromethanesulfonyl)amide anion

Ionic liquids of an N-alkylethylenediamine-silver(I) complex cation (alkyl=hexyl, 2-ethylhexyl, and octyl) or a protic N-alkylethylenediaminium cation (alkyl=butyl, hexyl, 2-ethylhexyl, octyl, decyl, and dodecyl) with a bis(trifluoromethanesulfonyl)amide counter anion (Ag-ILs and PILs, respectively) were prepared and their physicochemical properties were investigated. The trend of solidification decreased in the order octyl?hexyl>2-ethylhexyl for the Ag-ILs, and butyl>dodecyl>decyl>octyl>hexyl?2-ethylhexyl for the PILs. The diffusion coefficients of the cations indicated stronger intermolecular interactions in PILs than in the Ag-ILs because of hydrogen-bonding networks, and it has been revealed that the intermolecular interactions increase in the order, hexyl相似文献