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排序方式: 共有113条查询结果,搜索用时 15 毫秒
1.
A rugged procedure utilizing reversed-phase liquid chromatography with positive-ion electrospray ionization mass spectrometry (LC-MS) along with tandem MS is described for the quantification and confirmation of N-methylpyrrolidinone (NMP) in methanolic extracts of riverine biofilm. The LC-MS method provided a 100-fold improvement in detection limits (2 ng g(-1) with a repeatability of 80-95% based on triplicate analyses) compared to a conventional LC-UV detection procedure and was applicable to quantitative analysis of biofilm samples with little or no clean up. Under low-energy collision induced dissociation (CID) conditions (17 V, laboratory frame of reference, with argon as the collision gas), two product-ions of the [M+H]+ ion were formed at m/z 69 [MH-CH3NH2]+ and m/z 58 [MH-CH3NCH]+ with relative abundances of 30% and 5%, respectively. These CID transitions were used to demonstrate that biofilm uptake of a photocatalytically-generated mixture of NMP was rapid once acclimation was achieved. 相似文献
2.
We consider the problem of predicting the mode of binding of a small molecule to a receptor site on a protein. One plausible approach, given a rigid molecule and its geometry, is to search directly for the orientation in space that maximizes the degree of contact. The computation time required for such a naive procedure is proportional to n3m3, where n is the number of points in the site where binding can occur, and m is the number of atoms in the ligand. We give an alternative, combinatorial approach, in which only “contact–no-contact” criteria are considered. We relate this problem to the well-known combinatorial problem of finding cliques in a graph and show that we can use a solution to the clique problem not only to solve our original problem, but also the problem of avoiding energetically unfavorable matches. Our experience with this method indicates that the computation time required is proportional to nm2.8, with a lower constant of proportionality than that of the naive procedure. 相似文献
3.
The 1 : 2 trimethylphosphine (deuterated and non-deuterated) adducts of the Group V trihalides MX3 (where M = P or As and X = Cl or Br) are prepared and examined by vibrational spectroscopy. The forced cis-configuration complexes MX3 · bdpe where bdpe is the bidentate ligand 1,2-bisdimethylphosphinoethane are also prepared and examined spectroscopically. Comparison of the Raman and IR spectra of these complexes shows the monodentate adducts to be covalent monomers having a trans-stereochemistry in the solid state. Normal coordinate calculations in C2v symmetry (trans-stereochemistry) are performed for all monodentate adducts reported. 相似文献
4.
Diana R. Diniakhmetova Anna K. Friesen Sergey V. Kolesov 《International journal of quantum chemistry》2020,120(18):e26335
We have investigated the stepwise addition of four growing methyl methacrylate (MMA) radicals to C60 fullerene, taking into account all possible types of the formed adducts. This reaction set is a reliable approximation for understanding the MMA polymerization process in the presence of C60 fullerene. We have analyzed the structures of the fullerene-MMA adducts and energy parameters of their formation (heat effects and activation enthalpies). We found that up to three MMA growing radicals are favorably attached to C60 as the fullerene-MMA trisadduct is a stable radical of the allyl type. It is inactive for further radical addition, and the elimination of the hydrogen atom from the growing MMA radical becomes preferable. The effects of steric factors and structures of the products of multiple growing MMA radical additions to C60 on the radical polymerization of MMA in the presence of C60 fullerene are considered. 相似文献
5.
6.
Trimble T Tang L Vasiljevic N Dimitrov N van Schilfgaarde M Friesen C Thompson CV Seel SC Floro JA Sieradzki K 《Physical review letters》2005,95(16):166106
Experimental results are presented for stress evolution, in vacuum and electrolyte, for the first monolayer of Cu on Au(111). In electrolyte the monolayer is pseudomorphic and the stress-thickness change is -0.60 N/m, while conventional epitaxy theory predicts a value of +7.76 N/m. In vacuum, the monolayer is incoherent with the underlying gold. Using a combination of first-principles based calculations and molecular dynamic simulations we analyzed these results and demonstrate that in electrolyte, overlayer coherency is maintained owing to anion adsorption. 相似文献
7.
Stress evolution during intermittent homoepitaxial growth of (111)-oriented Cu and Ag thin films has been studied. A tensile stress change is observed when growth is stopped, but the change is reversed when growth is resumed. Reflection high energy electron diffraction analysis of the atomic scale surface roughness during intermittent growth demonstrates a strong correlation between the surface structure and reversible stress evolution. The results are discussed in terms of an evolving surface defect population. 相似文献
8.
Electron spin qubits in semiconductors are attractive from the viewpoint of long coherence times. However, single spin measurement is challenging. Several promising schemes incorporate ancillary tunnel couplings that may provide unwanted channels for decoherence. Here, we propose a novel spin-charge transduction scheme, converting spin information to orbital information within a single quantum dot by microwave excitation. The same quantum dot can be used for rapid initialization, gating, and readout. We present detailed modeling of such a device in silicon to confirm its feasibility. 相似文献
9.
Speech recognition in noise as a function of the number of spectral channels: comparison of acoustic hearing and cochlear implants 总被引:18,自引:0,他引:18
Friesen LM Shannon RV Baskent D Wang X 《The Journal of the Acoustical Society of America》2001,110(2):1150-1163
Speech recognition was measured as a function of spectral resolution (number of spectral channels) and speech-to-noise ratio in normal-hearing (NH) and cochlear-implant (CI) listeners. Vowel, consonant, word, and sentence recognition were measured in five normal-hearing listeners, ten listeners with the Nucleus-22 cochlear implant, and nine listeners with the Advanced Bionics Clarion cochlear implant. Recognition was measured as a function of the number of spectral channels (noise bands or electrodes) at signal-to-noise ratios of + 15, + 10, +5, 0 dB, and in quiet. Performance with three different speech processing strategies (SPEAK, CIS, and SAS) was similar across all conditions, and improved as the number of electrodes increased (up to seven or eight) for all conditions. For all noise levels, vowel and consonant recognition with the SPEAK speech processor did not improve with more than seven electrodes, while for normal-hearing listeners, performance continued to increase up to at least 20 channels. Speech recognition on more difficult speech materials (word and sentence recognition) showed a marginally significant increase in Nucleus-22 listeners from seven to ten electrodes. The average implant score on all processing strategies was poorer than scores of NH listeners with similar processing. However, the best CI scores were similar to the normal-hearing scores for that condition (up to seven channels). CI listeners with the highest performance level increased in performance as the number of electrodes increased up to seven, while CI listeners with low levels of speech recognition did not increase in performance as the number of electrodes was increased beyond four. These results quantify the effect of number of spectral channels on speech recognition in noise and demonstrate that most CI subjects are not able to fully utilize the spectral information provided by the number of electrodes used in their implant. 相似文献
10.
Gareth AD Hardy Nesrina Imami Mark R Nelson Ann K Sullivan Ron Moss Marlén MI Aasa-Chapman Brian Gazzard Frances M Gotch 《Journal of immune based therapies and vaccines》2007,5(1):6-12