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Deniss Fedorenko Antons Podjava Arvis Prikulis Vadims Bartkevics 《Journal of separation science》2023,46(11):2201002
A new method for quantitative analysis of several biomarkers and pharmaceutical compounds in wastewater has been developed employing nanoflow liquid chromatography with Orbitrap mass spectrometry. An easy dilute-and-shoot approach has been used for sample preparation with a dilution factor of 5. Improved retention of ionic and highly polar compounds has been achieved by the addition of tetrabutylammonium bromide as an ion pair reagent into the final diluted sample. The new nanoflow liquid chromatography method has demonstrated low matrix effects (70%–111%), high sensitivity in terms of limits of quantification (0.005 to 0.3 μg/L), low injection volume (70 nl) and solvent consumption, and the ability to analyze diverse polar and ionic analytes within one run using a single reversed-phase nanoflow liquid chromatography column. Wastewater samples (n = 116) from the wastewater treatment plants of different cities in Latvia were analyzed using the developed method. The observed concentrations of biomarkers were in line with the literature data. 相似文献
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Paulsen H Antons S Brandes A Lögers M Müller SN Naab P Schmeck C Schneider S Stoltefuß J 《Angewandte Chemie (International ed. in English)》1999,38(22):3373-3375
Seemingly heartbreaking for a stereochemist, the one-step selective construction of a stereopentad and its prompt destruction by aromatization has been proven to be an efficient strategy for the synthesis of fivefold substituted, pharmacologically highly active arenes (see scheme). 相似文献
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Antons A Schroeder K Voigtländer B Cherepanov V Berger R Blügel S 《Physical review letters》2002,89(23):236101
The early stages of surfactant- (As, Sb) mediated homoepitaxial growth on Si (111) are examined by scanning tunneling microscopy and extensive ab initio calculations of Si(n) clusters (n=12). The results reveal the different microscopic behavior of the two surfactants: On As-covered Si (111), one exclusively finds two-dimensional islands with double-layer height which show the (1 x 1) terrace structure. On Sb-covered Si (111), the islands show two different reconstructions: at the rim of the islands a (1 x 1) structure appears, while in the center the (square root 3 x square root 3) terrace structure is observed. 相似文献
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Using an ab initio total energy and force method, we have relaxed several group IV and group V elementalclusters, in detail the arsenic and antimony dimers, silicon, phosphorus, arsenic and antimony tetramers. The obtainedbond lengths and cohesive energies are more accurate than other calculating methods, and in excellent agreement withthe experimental results. 相似文献
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Relaxation of Small Molecules: an ab initio Study 总被引:6,自引:0,他引:6
The formation mechanism for the equilateral triangle structure of the He3^ cluster is proposed.The curve of the total energy versus the internuclear distance R for this structure has been caclulated by the method of a modified arrangement channel quantum mechanics,The result shows that the curve has a minimal -7.81373 a.u.at R=1.55 a0. The binding energy of He3^ with respect to He He^ He was calculated to be 0.1064 a.u.(about 2.89 eV).This means that the He3^ cluster may be formed in the equilateral triangle structure stable by the interaction of He^ with two helium atoms. 相似文献
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Podjava A Mekss P Zicmanis A 《European journal of mass spectrometry (Chichester, England)》2011,17(4):377-383
The mass spectrometric properties of several (1,2-dimethyl-1H-imidazol-3-ium-3-yl)-alkane-1-sulfonates (alkane=ethyl, propyl and butyl) are investigated in this study. These substances, named zwitterionic liquids (ZILs), were synthesized using classical transformations and analyzed in positive and negative electrospray ionization mode using collision-induced dissociation (0-50 eV). We have also performed regioselective deuterium labeling of the alkyl chain of 3-(1,2-dimethyl-1H-imidazol-3-ium-3-yl)-propane-1-sulfonates. Thus, the mass spectra of isotopically-labeled compounds were used for the confirmation of fragmentation pathways of ZILs. Briefly, the data obtained in this study show that the fragmentation of ZILs is dependent on the alkyl chain length between the imidazolium ring and the sulfonate group. In positive electrospray mode, the main fragments are the imidazolium ring containing even electron ions. On the other hand, in negative electrospray mode, sulfur-containing radical-anions are dominant. 相似文献
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