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1.
2.
Paired single residue‐transposed Lys‐N and Lys‐C digestions for label‐free identification of N‐terminal and C‐terminal MS/MS peptide product ions: ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry and tandem mass spectrometry for peptide de novo sequencing 下载免费PDF全文
3.
Francesco Segatta David M. Rogers Naomi T. Dyer Ellen E. Guest Zhuo Li Hainam Do Artur Nenov Marco Garavelli Jonathan D. Hirst 《Molecules (Basel, Switzerland)》2021,26(2)
A fully quantitative theory of the relationship between protein conformation and optical spectroscopy would facilitate deeper insights into biophysical and simulation studies of protein dynamics and folding. In contrast to intense bands in the far-ultraviolet, near-UV bands are much weaker and have been challenging to compute theoretically. We report some advances in the accuracy of calculations in the near-UV, which were realised through the consideration of the vibrational structure of the electronic transitions of aromatic side chains. 相似文献
4.
Fabry-Perot resonators have long been advocated to improve the limited contrast ratio of multiple quantum well optical modulators used in photonic switches based on self electrooptic effect devices (SEEDs) and in other array based optical interconnection schemes. Using data on field dependent GaAs/AlGaAs quantum well absorption and refraction, we have modelled the reflectivity, modulation depth and contrast ratio of resonant modulators. Our results are generally valid for any quantum well modulator and demonstrate 23the important role played by electro-refraction even in regions of strong absorption. Resonators give large contrast ratios but there are trade-offs in the maximum reflectivity change achievable with Fabry-Perot resonators compared to simple modulators. The model gives the optimum number of quantum wells and reflectivity values required to make a resonator at any wavelength for a given quantum well structure. Understanding the limits of Fabry-Perot quantum well modulator performance is important for their application in symmetric self electrooptic effectiveness for photonic switching where modulation and detection properties are both used and for optical interconnection systems. 相似文献
5.
Homologous series of 2-alkoxycarbonyl-4-(4-ethoxyphenylazo)phenyl 4-methoxybenzoates (L) and their orthopalladated μ-chloro dimers (Pd2Cl2L2) have been synthesized and their thermotropic phase transition behaviour has been characterized. The ligands, L, are three-ring nematogens with their central rings substituted in the 2-position by n-alkyl chains of varied length. The thermal stability of the nematic phases decreases rapidly with increasing side chain length and then levels off as the series is ascended. In every case the mesomorphic phase appears only over a small temperature range (less than 20° C). The orthopalladated species also proved to be nematogenic. Melting and clearing points rise on the average by 87° C and 126° C, respectively, and thus the temperature ranges of the nematic phases are enlarged considerably upon metallation. In relation to the observed stabilization of the nematic phases, particularly of higher homologues, a lath-like molecular structure, in which the side chains of the ligands fill up the clefts of the core part, has been deduced for a Pd2Cl2L2 homologue from its solution 1H-NMR spectrum. 相似文献
6.
The analysis in this paper looks at two important elements in modelling the market for timber in the United States. First, the issue of directional causality between price and quantity and its implications in a modelling effort is investigated. Second, the extent of the geographic market for timber is discussed and a method of detecting it is suggested. The method for detecting the extent of the geographical market is tractable and can be applied in a straightforward way. Both considerations are applied to the softwood lumber market in the United States. 相似文献
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8.
Raman spectra of molten NaClO3 and KClO3 and of aqueous solutions of these salts were measured over the frequency interval from 50 to 1200 cm−1|. Infrared emission spectra of the molten chlorates and of chlorate-nitrate mixtures were recorded, and absorption spectra of aqueous sodium and potassium chlorate also were determined. The ν3(e) and ν4(e) modes of ClO−3 were split in the molten salt and aqueous solution spectra, and a single, weak band was observed between ca. 80 and 200 cm− in the Raman spectra of molten NaClO3 and KClO3. 相似文献
9.
The Fermi and Coulomb holes of the 21
S state of the helium isoelectronic sequence are investigated. Several interesting differences between the results obtained and those which might be expected on the basis of the corresponding 23
S state are pointed out and discussed. 相似文献
10.
Protein tyrosine phosphatase 1B (PTP1B) functions by removing the phosphoryl group from tyrosinephosphorylated proteins in
insulin signaling and metabolism. The regeneration of the active site involves a sulphenylamide intermediate derived from
the intrastrand cross-linking between the catalytic serine and the neighboring backbone nitrogen. Two mechanisms have been
proposed for the formation of the sulphenylamide intermediate and the subsequent reactivation of the catalytic site. In the
current work, the proposed mechanisms have been investigated by the use of density functional theory calculations. Our results
suggest that these two mechanisms have similar overall energy barriers and that the preferred route will be determined by
the availability of hydrogen peroxide or other oxidizing reagents. 相似文献