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排序方式: 共有310条查询结果,搜索用时 15 毫秒
1.
Mark Edgar Dee Hayward Fatemeh Zeinali Shahzad Riaz George W. Weaver 《Magnetic resonance in chemistry : MRC》2020,58(2):170-185
A simple to use nuclear magnetic resonance analysis method has been tested on complex 1H, 19F, and 13C multiplets. This open-source line-shape analysis method analysis of total lineshape (ANATOLIA)1 provides some significant advantages over traditional assign-iterate methods of NMR spectral analysis by avoiding false minima and progressing optimisation to the global minimum. The target molecules are 1-perfluorotol-4-yl-2-perfluorotol-4-yl-oxymethyl-1H-benzimidazole (molecule-I) and 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4-yl-thio-1H-benzimidazole (molecule-II) which were produced as part of a family of fluorinated drug scaffolds prepared for anticancer and antiparasitic screening. Spectra display significant second-order effects with 1H Δδ = 3.68 and 4.67 Hz for the aromatic hydrogen “triplets”, with 19F 4JAA', 4JBB', 4JXX', and 4JYY' coupling constants range from +4.8 to −14.0 Hz and for 13C-isotopomers 19F Δδ of up to 111.56 Hz. A spin-system of six coupling nuclei (HaHbHcHd FYFY') was analysed in 12 s, a spin-system of nine coupling fluorine nuclei (AA'BB'CCC-YY') was analysed within 2 min, and 10 coupling nuclei (XX'YY'ZZZ-BB'-Hd) was optimised in 6 min using a laptop computer. ANATOLIA was also robust enough to be able to yield accurate spectral values from inaccurate input values. In both compounds, a fluorine–fluorine coupling constant was identified between the two fluoro-aromatic rings (FBB' and FYY') of +4.05 and +4.67 Hz and attributed to a through-space interaction. Ab initio structure optimisations and coupling constant calculations provided useful input data for spectral analysis. A modern 19F nuclear magnetic resonance spectrum of perfluorotoluene (octafluorotoluene) and analysis from 1975 was used as a test data set to assess ANATOLIA. 相似文献
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Common fixed-point results are established for a new class of noncommuting selfmaps. We apply them to obtain several invariant approximation results which unify, extend, and complement well-known results. 相似文献
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Humaira Latif Sadaf Jamil Rana Babar Shahzad Khan Sardar Sikandar Hayat 《辐射效应与固体损伤》2017,172(11-12):851-865
Trace rare gas optical emission spectroscopy (TRG-OES) is carried out to determine the excitation temperature, vibrational temperature, dissociation fraction and nitrogen (N) atom density in 50?Hz active screen cage nitrogen plasma, as a function of discharge parameters (current density and fill pressure) and hydrogen concentrations. The excitation temperature is determined from Ar–I emission lines and is found to increase with hydrogen mixing. In a similar fashion, the vibrational temperature of second positive system is determined and found to have increasing trend with hydrogen addition. The dissociation fraction increases with hydrogen concentration up to 40% H2 in the nitrogen plasma, so as the nitrogen atom density. 相似文献
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Compounds belonging to the stilbene family have gained remarkable significance in pharmaceutical as well as material chemistry. The current review covers the various synthetic approaches for the syntheses of stilbene scaffold and related structures over last 30 years. In addition, this review also highlights the role of stilbene intermediates used in the synthesis of important molecules with diverse applications in the field of pharmaceutics and material science. 相似文献
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Dr. Khurram Saleem Joya Dr. Yasir F. Joya Prof. Kasim Ocakoglu Prof. Roel van de Krol 《Angewandte Chemie (International ed. in English)》2013,52(40):10426-10437
The development of new energy materials that can be utilized to make renewable and clean fuels from abundant and easily accessible resources is among the most challenging and demanding tasks in science today. Solar‐powered catalytic water‐splitting processes can be exploited as a source of electrons and protons to make clean renewable fuels, such as hydrogen, and in the sequestration of CO2 and its conversion into low‐carbon energy carriers. Recently, there have been tremendous efforts to build up a stand‐alone solar‐to‐fuel conversion device, the “artificial leaf”, using light and water as raw materials. An overview of the recent progress in electrochemical and photo‐electrocatalytic water splitting devices is presented, using both molecular water oxidation complexes (WOCs) and nano‐structured assemblies to develop an artificial photosynthetic system. 相似文献
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Yousef Fazaeli Amir R. Jalilian Mostafa M. Amini Mohammadreza Aboudzadeh Shahzad Feizi Ali Rahiminezhad Kamran Yousefi 《Journal of Radioanalytical and Nuclear Chemistry》2013,295(1):255-263
Cu-64 was produced via the 68Zn (p,αn)64Cu nuclear reaction (≈200 mCi, >95 % chemical yield at 180 μA for 1.1 h irradiation, (radionuclidic purity >96 %, copper-67 as impurity) followed by purification with amino functionalized nano magnetic oxide, Fe3O4 aiming to remove trace amount of heavy metal ions from aqueous media due to achieve ultra pure [64Cu] CuCl2 for labeling step. [64Cu] labeled 5,10,15,20-tetrakis(penta fluoro phenyl) porphyrin ([64Cu]-TFPP) was prepared using freshly prepared [64Cu] CuCl2 (Cu-64; T 1/2 = 12.7 h) and 5,10,15,20-tetrakis(penta fluoro phenyl)porphyrin (H2TFPP) for 60 min at 100 °C under reflux condition (radiochemical purity: >97 % ITLC, >98 % HPLC, specific activity: 14–16 GBq/mmol). Stability of the complex was checked in final formulation and human serum for 24 h. The partition coefficient was calculated for the compound (log P = 0.73). The biodistribution of the labeled compound in vital organs of wild-type rats was studied using scarification studies and PET imaging up in 2 and 4 h after injection. A detailed comparative pharmacokinetic study performed for 64Cu cation and [64Cu]-TFPP. The complex is mostly washed out from the circulation through kidneys and liver and can be an interesting tumor imaging/targeting agent due to high specific uptake and rapid excretion through the urinary tract. 相似文献