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Diana Gonzalez Joseph T. Golab Andrew J. Cigler James A. Kaduk 《Acta Crystallographica. Section C, Structural Chemistry》2020,76(7):706-715
The crystal structures of a new polymorph of dipotassium hydrogen citrate, 2K+·HC6H5O72?, and potassium rubidium hydrogen citrate, K+·Rb+·HC6H5O72?, have been solved and refined using laboratory powder X‐ray diffraction and optimized using density functional techniques. In the new polymorph of the dipotassium salt, KO7 and KO8 coordination polyhedra share corners and edges to form a three‐dimensional framework with channels parallel to the a axis and [111]. The hydrophobic methylene groups face each other in the channels. The un‐ionized carboxylic acid group forms a strong charge‐assisted hydrogen bond to the central ionized carboxylate group. The hydroxy group forms an intermolecular hydrogen bond to a different central carboxylate group. In the potassium rubidium salt, the K+ and Rb+ cations are disordered over two sites, in approximately 0.72:0.28 and 0.28:0.72 ratios. KO8 and RbO9 coordination polyhedra share corners and edges to form a three‐dimensional framework with channels parallel to the a axis. The un‐ionized carboxylic acid group forms a strong charge‐assisted hydrogen bond to an ionized carboxylate group. The hydroxy group forms an intermolecular hydrogen bond to the central carboxylate group. Density functional theory (DFT) calculations on the ordered cation structures suggest that interchange of K+ and Rb+ at the two cation sites changes the energy insignificantly. 相似文献
44.
Andrew Wisel Irene Studentsova Abdurakhim Muslinkin Ramil Garaev Valeriy Danilov Lidia Schukina 《Phosphorus, sulfur, and silicon and the related elements》2013,188(1)
Abstract The synthesis of dimephosphone (1) was carried out on Pudovik's reaction. 相似文献
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José Maria Esbrí Anna Bernaus Marta ávila David Kocman Eva M. García‐Noguero Beatriz Guerrero Xavier Gaona Rodrigo álvarez Gustavo Perez‐Gonzalez Manuel Valiente Pablo Higueras Milena Horvat Jorge Loredo 《Journal of synchrotron radiation》2010,17(2):179-186
The mobility, bioavailability and toxicity of mercury in the environment strongly depend on the chemical species in which it is present in soil, sediments, water or air. In mining districts, differences in mobility and bioavailability of mercury mainly arise from the different type of mineralization and ore processing. In this work, synchrotron‐based X‐ray absorption near‐edge spectroscopy (XANES) has been taken advantage of to study the speciation of mercury in geological samples from three of the largest European mercury mining districts: Almadén (Spain), Idria (Slovenia) and Asturias (Spain). XANES has been complemented with a single extraction protocol for the determination of Hg mobility. Ore, calcines, dump material, soil, sediment and suspended particles from the three sites have been considered in the study. In the three sites, rather insoluble sulfide compounds (cinnabar and metacinnabar) were found to predominate. Minor amounts of more soluble mercury compounds (chlorides and sulfates) were also identified in some samples. Single extraction procedures have put forward a strong dependence of the mobility with the concentration of chlorides and sulfates. Differences in efficiency of roasting furnaces from the three sites have been found. 相似文献
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Irina V. Falina Olga A. Demina Natalia A. Kononenko Lidia A. Annikova 《Journal of Solid State Electrochemistry》2017,21(3):767-775
In this work, the results of investigation of the influence of inert binder and reinforcing fabric on structural organization and mechanism of current transfer in homogeneous and heterogeneous ion-exchange membranes are presented by theoretical analysis of parameters of the extended three-wire conductivity model. It was established that analogy in reorganization of the current paths takes place in the course of inclusion of the reinforcing fabric in perfluorinated membranes and addition of polyethylene and nylon 6 to ion-exchange resins during preparation of heterogeneous membranes. In comparison with perfluorinated membranes, the essential difference in conducting properties of heterogeneous membranes is the opportunity for the current transfer via the channel filled with equilibrium solution. The size of this channel decreases with increase in the volume fraction of the inert component inside the membrane. 相似文献
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Dobosz B Drzewiecka K Waskiewicz A Irzykowska L Bocianowski J Karolewski Z Kostecki M Kruczynski Z Krzyminiewski R Weber Z Golinski P 《Applied magnetic resonance》2011,41(1):19-30
Electron paramagnetic resonance was used to monitor free radicals and paramagnetic species like Fe, Mn, Cu generation, stability and status in Asparagus officinalis infected by common pathogens Fusarium proliferatum and F. oxysporum. Occurrence of F. proliferatum and F. oxysporum, level of free radicals and other paramagnetic species, as well as salicylic acid and mycotoxins content in roots and stems of seedlings were estimated on the second and fourth week after inoculation. In the first term free and total salicylic acid contents were related to free radicals level in stem (P?=?0.010 and P?=?0.033, respectively). Concentration of Fe(3+) ions in porphyrin complexes (g?=?2.3, g?=?2.9) was related to the species of pathogen. There was no significant difference between Mn(2+) concentrations in stem samples; however, the level of free radicals in samples inoculated with F. proliferatum was significantly higher when compared to F. oxysporum. 相似文献
49.
Julia Grandke Lidia Oberleitner Ute Resch-Genger Leif-Alexander Garbe Rudolf J. Schneider 《Analytical and bioanalytical chemistry》2013,405(5):1601-1611
Enzyme immunoassays with optical detection are amongst the most widely used bioanalytical tools. We defined seven parameters for the quality assessment of immunoassays that were addressed in a systematic study of direct and indirect immunoassays, using the enzymes horseradish peroxidase (HRP) and alkaline phosphatase (AP), the chromogenic substrates 3,3′,5,5′-tetramethylbenzidine (TMB) and para-nitrophenyl phosphate, and the fluorescent substrates 3-(4-hydroxyphenyl)propionic acid and 4-methylumbelliferyl phosphate. The same monoclonal antibody against caffeine was used throughout the study. The four quality parameters regarding the standard curve were the test midpoint (sensitivity), the measurement range, the relative dynamic range of the signal, and the goodness of fit of the adjusted four-parameter logistic function. All HRP immunoassays showed a higher sensitivity compared to the AP assays. On the basis of all four criteria, it was established that the direct assay format is superior to the indirect format, the immunoassay using HRP TMB fulfilling all requirements best. In a second step, caffeine concentrations in 24 beverage and cosmetics samples were determined and three more quality parameters were assessed with this application. The direct HRP TMB assay showed one of the best intra- and inter-plate precisions and the best accuracy, defined by the correlation of results with those from the chosen reference method liquid chromatography tandem mass spectrometry (LC-MS/MS). Considering all criteria, HRP TMB seems to be the enzyme substrate system of choice preferably used in the direct assay format. Figure
Overview on the different enzyme immunoassay formats compared 相似文献
50.
Jorge Pisonero Nerea Bordel Claudia Gonzalez de Vega Beatriz Fernández Rosario Pereiro Alfredo Sanz-Medel 《Analytical and bioanalytical chemistry》2013,405(17):5655-5662
The combination of radiofrequency pulsed glow discharge (RF-PGD) analytical plasmas with time-of-flight mass spectrometry (TOFMS) has promoted the applicability of this ion source to direct analysis of innovative materials. In this sense, this emerging technique enables multi-elemental depth profiling with high depth resolution and sensitivity, and simultaneous production of elemental, structural, and molecular information. The analytical potential and trends of this technique are critically presented, including comparison with other complementary and well-established techniques (e.g. SIMS, GD–OES, etc.). An overview of recent applications of RF-PGD–TOFMS is given, including analysis of nano-structured materials, coated-glasses, photovoltaic materials, and polymer coatings 相似文献