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1.
The current study provides a way of extraction for both active NSO and WSE from Nigella sativa seeds using 98% methanol. About 1?kg of ground seeds was macerated by 1:2.5 w/v (g/mL) for 72?hours. After rotary evaporation and 7 days of continuous drying and chilling at 50 and 4?°C, NSO and WSE were obtained at the same instant. Solubility tests of 24 solvents and 11 thin layer chromatographic analyses while 2, 2-diphenyl-1-picrylhydrazyl free radical scavenging assay of NSO (73.66) , WSE (33.32) and NSO?+?WSE (78.22) against ascorbic acid (IC50?=?4.28?mg/mL) was performed. WSE was found to be highly soluble in water and 5% NaOH exhibiting the same Rf value of 0.95 for EtOH:DMSO (9:1) against the honey. WSE has revealed more than twofold higher anti-oxidant activity than others. Formulation of WSE with Tualang honey may provide better targeted hydrophilic drug delivery systems.  相似文献   
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An experimental study of the thermal decomposition of a β‐hydroxy alkene, 3‐methyl‐3‐buten‐1‐ol, in m‐xylene solution, has been carried out at five different temperatures in the range of 513.15–563.15 K. The temperature dependence of the rate constants for the decomposition of this compound in the corresponding Arrhenius equation is given by ln k (s?1) = (25.65 ± 1.52) ? (17,944 ± 814) (kJ·mol?1T?1. A computational study has been carried out at the M05–2X/6–31+G(d,p) level of theory to calculate the rate constants and the activation parameters by the classical transition state theory. There is a good agreement between the experimental and calculated rate constants and activation Gibbs energies. The bonding characteristics of reactant, transition state, and products have been investigated by the natural bond orbital analysis, which provides the natural atomic charges and the Wiberg bond indices. Based on the results obtained, the mechanism proposed is a one‐step process proceeding through a six‐membered cyclic transition state, being a concerted and slightly asynchronous process. The results have been compared with those obtained previously by us (Struct Chem 2013, 24, 1811–1816) for the thermal decomposition of 3‐buten‐1‐ol, in m‐xylene solution. We can conclude that in the compound studied in this work, 3‐methyl‐3‐buten‐1‐ol, the effect of substitution at position 3 by a weakly activating CH3 group is the stabilization of the transition state formed in the reaction and therefore a small increase in the rate of thermal decomposition.  相似文献   
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The double crossover junction (DX) is a fundamental building block for generating complex and varied structures from DNA. However, its implementation in functional devices is limited to the inherent properties of DNA itself. Here, we developed design strategies to generate the first metal–DX DNA tiles (DXM) by site‐specifically functionalizing the tile crossovers with tetrahedral binding pockets that coordinate CuI. These DX junctions bind two CuI ions independently at distinct sites, display greater thermal stability than native DX tiles upon metalation, and melt in a cooperative fashion. In addition, the right‐handed helical chirality of DNA is transferred to the metal centers. Our tiles display high metal ion selectivity, such that CuII is spontaneously reduced to CuI in situ. By modifying our design over three generations of tiles, we elucidated the thermodynamic and geometric requirements for the successful assembly of DXM tiles, which have direct applicability in developing robust, stable DNA‐based materials with electroactive, photoactive, and catalytic properties.  相似文献   
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A collision induced dissociation (CID) structure for lossless ion manipulations (SLIM) module is introduced and coupled to a quadrupole time-of-flight (QTOF) mass spectrometer. The SLIM CID module was mounted after an ion mobility (IM) drift tube to enable IM/CID/MS studies. The efficiency of CID was studied by using the model peptide leucine enkephalin. CID efficiencies (62%) compared favorably with other beam-type CID methods. Additionally, the SLIM CID module was used to fragment a mixture of nine peptides after IM separation. This work also represents the first application of SLIM in the 0.3 to 0.5 Torr pressure regime, an order of magnitude lower in pressure than previously studied.
Graphical Abstract ?
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Titanium dioxide (TiO2), especially in its anatase form, is an effective photocatalyst under ultraviolet (UV) light. The particle size of TiO2 is a critical factor to determine its photoactivity based on its quantum effectiveness under light irradiations. Thus, nanocrystalline TiO2 has been widely accepted to significantly enhance this effect. The sol–gel method is generally used to synthesize the anatase form of nanocrystalline TiO2. In this study, we expanded the synthesis method of TiO2 to high pressures under direct heating (hydrothermal method) and indirect heating (microwave-assisted method). It was found that pH value is one of the major factors to control nano-sizes of TiO2 particles, and the neutral condition in all methods is preferable for controlling the sizes of the prepared TiO2 particles. The microwave-assisted method further improves quality of synthesized nano-size TiO2 below 10 nm. These results have been confirmed by both the direct size measurement using TEM images and indirect determination using XRD peaks. The collected samples are further analyzed using UV–Vis spectroscopy to identify the particle size-dependent photoreactivity and to confirm the effectiveness of microwave-assisting under neutral conditions. DSC is also a powerful tool to identify the crystalline transition of TiO2.  相似文献   
8.
A family of arylspiroborates has been prepared by the addition of either 4‐tert‐butylcatechol or 3,5‐di‐tert‐butylcatechol to boric acid and an alkali metal hydroxide. All compounds were characterized fully using multinuclear NMR spectroscopy and by elemental analyses. A single crystal X‐ray diffraction was carried out on potassium (bis‐(3,5‐di‐tertbutyl[1,2‐benzenediolato(2‐)‐O,O′]borate)) ( 8 ). All compounds displayed appreciable anti‐microbial activities.  相似文献   
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In two recent studies1, 2 of cascade mixing, the process in which energetic ion bombardment can redistribute the atomic components of a multielemental target via recoil processes, a diffusion approximation has been assumed, apparently with signif-icantly different results2. It is the purpose of this communication to reveal the close similarity of the two existing treatments and to indicate some important modifications and extensions.  相似文献   
10.
More than 50 students, post-docs, and career scientists from US national laboratories, academic institutions, and the international user community participated in this four-day school, held from June 2–5, 2009, which delved deeply into theoretical and practical aspects of synchrotron X-ray spectroscopy. The fourth annual school on synchrotron techniques in environmental and materials sciences, organized by the Stanford Synchrotron Radiation Lightsource (SSRL) at the SLAC National Accelerator Laboratory, was designed to introduce new and prospective users to theoretical underpinnings and capabilities of the techniques, data collection procedures, and data analysis approaches. More advanced topics, particularly in data analysis, were also discussed to reinforce and clarify important concepts that are fundamental to data interpretation. Although the school focused principally on applications in environmental and materials sciences, diverse and cross-cutting disciplinary backgrounds were represented, from environmental remediation science and geochemistry, to heterogeneous catalysis and bioinorganic chemistry, to materials sciences and applied physics.  相似文献   
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