The glow curve structure for the LiF:Mg,Cu,Na,Si TL detector with dopants concentrations and sintering temperatures

The glow curve structures for LiF:Mg,Cu,Na,Si TL detectors with various dopant concentrations and sintering temperatures were investigated for the improvement of the glow curve structure and sensitivity of the TL detector. The dopant concentrations were varied over the following ranges: Mg (0–0.25 mol%), Cu (0–0.07 mol%), Na and Si (0–1.5 mol%). With increasing Cu concentration, the intensity of the main peak was intensified and reached a maximum at a concentration of 0.05 mol%. The high-temperature peak was reduced. The dependency of the main peak intensity on the Mg concentration exhibits a sharp maximum at 0.2 mol%. The intensity of the high-temperature peak tends to rise slightly with increasing Mg concentration. It was found that the optimum concentrations of the dopants in the LiF:Mg,Cu,Na,Si TL material are Mg: 0.2 mol%, Cu: 0.05 mol%, Na and Si: 0.9 mol%. The dependency of the main peak intensity on sintering temperature exhibits a very sharp maximum at 830°C. The high-temperature peak was rapidly reduced after 825°C.     

Superoxes,high temperature universal phases in (GC)2

Most of the common classes of organic compounds chromatograph normally on Superoxes. There is no tailing or adverse effect from excessively different activity different activity coefficients. Superoxes are therefore universal phases for gas chromatography. This is also expressed by a wide useful temperature range from ～50° to ～300°. High MW Superox-4 has a MAOT about 20° higher than the lower MW Superox-0.1. Several applications illustrating the versatility of Superox phases in (GC)² are presented.     

Chemical studies on the anobiidae: Sex pheromone of the drugstore beetle, stegobium paniceum (L.) (coleoptera)

Chemical an spectroscopic evidence is presented to show that 2,3-dihydro-2,3,5-trimethyl-6-(1-methyl-2-oxobutyl)-4H-pyran-4-one (10) is the sex pheromone produced by the female drugstore beetle, Stegobium paniceum L.     

Atomistic insights into the selective therapeutic activity of 6-(2,4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1,2-a]pyrazin-1(2H)-one towards bromodomain-containing proteins

Cross-target effect has been one of the major mechanisms of drug toxicity, this has necessitated the design of inhibitors that are specifically tailored to target particular biomolecules. 6-(2,4-difluorophenoxy)-5-((ethylmethyl)pyridine-3-yl)-8-methylpyrrolo[1,2-a] pyrazin-1(2H)-one (Cpd38) is an inhibitor possessing high inhibition rate and tailored specificity towards bromodomain-containing protein 4 (BRD4). In this research, we used an array of computational techniques to provide insight at the atomistic level the specific targeting of BRD4 by Cpd38 relative to the binding of Cpd38 with E1A binding protein P300 (EP300); another bromodomain-containing protein (BCP). Comparatively, binding of Cpd38 improved the conformational stability and compactness of BRD4 protein when compared to the Cpd38 bound EP300. Also, Cpd38 induced a conformational change in the active site of BRD4 that facilitated a complementary pose between Cpd38 and BRD4 suitable for effective atomistic interactions. Expectedly, thermodynamic calculations revealed that the Cpd38-BRD4 system had higher binding energy (−36.11 Kcal/mol) than the Cpd38-EP300 system with a free binding energy of −15.86 Kcal/mol. Noteworthy is the opposing role Trp81 (acting as hydrogen bond acceptor) and Pro1074 (acting as hydrogen bond donor) found on the WPF and LPF loops respectively play in maintaining Cpd38 stability. Furthermore, the hydrogen bond acceptor/donator ratio was approximately 4:1 in Cpd38-BRD4 system compared with 2:1 in Cpd38-EP300 system. Taken together, atomistic insights and structural perspectives detailed in this report supplements the experimental report supporting the improved selectivity of Cpd38 for BRD4 ahead of other BCPs while providing leeway for the future design of BET selective agents with better pharmacological profile.     

Effect of the Ethanol/BTC Ratio on the Methane Uptake of Mechanochemically Synthesized MOF-199

We report on a detailed textural analysis of mechanochemically synthesized MOF-199 including N₂ adsorption-desorption and CO₂ adsorption isotherms data at 77 K and 273 K (up to atmospheric pressure), respectively, and CH₄ adsorption data at 298 K (up to 35 bar). We used the isotherm adsorption data to determine the micropore volume of the MOF-199 structures, to establish their methane uptake capacity and to understand how these properties depended on the Ethanol/BTC ratio used during the synthesis. The maximum methane uptake capacity for our specimens was recorded at 130 v/v at 35 bars. These results open an avenue for a better understanding of alternative manufacturing processes of MOF structures for gas storage applications.     

Thermal quenching of thermoluminescence in TLD-200, TLD-300 and TLD-400 after β-irradiation

The dosimetric characteristics of many TL materials are influenced by changes in location, size and shape of the glow curves due to changes in the heating rate. In this study, the effect of heating rate on the integrated peak areas of CaF₂:Dy (TLD-200), CaF₂:Tm (TLD-300) and CaF₂:Mn (TLD-400) crystals have been investigated after β-irradiation. It was observed that the peak temperatures of all peaks shifted to the high temperature sides and the integrated peak areas decrease as the heating rate increases due to thermal quenching, whose efficiency increases as temperature increases.     

Efficiency and multifractality analysis of CSI 300 based on multifractal detrending moving average algorithm

We apply the multifractal detrending moving average (MFDMA) to investigate and compare the efficiency and multifractality of 5-min high-frequency China Securities Index 300 (CSI 300). The results show that the CSI 300 market becomes closer to weak-form efficiency after the introduction of CSI 300 future. We find that the CSI 300 is featured by multifractality and there are less complexity and risk after the CSI 300 index future was introduced. With the shuffling, surrogating and removing extreme values procedures, we unveil that extreme events and fat-distribution are the main origin of multifractality. Besides, we discuss the knotting phenomena in multifractality, and find that the scaling range and the irregular fluctuations for large scales in the _Fq(s)$F_q\left(s\right)$ vs s$s$ plot can cause a knot.     

Correlations between electronic structure of transition metal atoms and performance of high-k gate dielectrics in advanced Si devices

This paper develops a classification scheme for non-crystalline dielectrics that separates them into three groups with different amorphous morphologies, and identifies a linear scaling relationship between average bond ionicity and oxygen atom coordination. The classification scheme is applied to transition metal silicate and aluminate alloys and provides a structural model for molecular orbital, MO, calculations that are based on the coordination and symmetry of transition metal atoms and the orbital energies of their oxygen neighbors. The MO calculations show that conduction band offset energies with respect to Si scale inversely with the energy difference between transition metal atomic n+1 s- and n d-states providing an important insight into the choice of alternative gate dielectrics for advanced Si devices.     

Positron annihilation lifetime study of organic-inorganic hybrid materials prepared by irradiation

Silica based hybrid materials, some containing zirconia, prepared by gamma-irradiation, were studied by positron annihilation lifetime (PAL) spectroscopy, in the temperature range of 30-370 K. One long-lived component was observed in group of samples without zirconia. The behavior of this component as a function of temperature resembles that for polymers. This is explained by the elastomer like structure of the samples and the excellent linking between the inorganic and organic networks. The average radius, R, of the free-volume holes was in the range 0.26-0.42 nm depending on the temperature. In the group of samples containing zirconia two long-lived components were observed. A model with three different free-volume holes was suggested to explain the PAL results. Small closed holes (R ∼ 0.26 nm) and large closed holes introduced by Zr (R ∼ 0.5 nm), the sizes of both holes not changing with the temperature, together with intermediate polymer-like free-volume holes - the same behavior as those present in samples not containing zirconia.