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Apparent correlations are found between the N-H chemical shifts of congeneric series of compounds and the dipole moments of the molecules, such as lactams and thiolactams, cyclic ureas and thioureas. When there is a high degree of correlation, either the N-H chemical shift or the dipole moment of the molecule can be used as an electronic parameter in correlating the biological activity with the chemical structure. In a series of substituted salicylaldehydes the Hammett σ constant gives better correlation with the biological activity than the O-H chemical shift. This is probably due to the anisotropic effect of the substituent besides the electronic effect. Other factors affecting the N-H chemical shift, e.g. intramolecular hydrogen-bonding of nitrosoureas and the deshielding effect of a benzene ring, in o-phenyleneureas are also presented. In spite of the limitations, the chemical shifts of many compounds can be obtained very easily, therefore, their uses in structure-activity correlations deserve further investigation. 相似文献
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We discuss a new concept in lightning location system (LLS). Specitically,it is anoptimum method of lightning signal strength and a parameterization method of the site gaincurve estimation in LLS. Site gain correction curves for all DFs for 1989 were found byusing the data observed in an LLS of three direction finders (DFs) in Beijing region. Theresult shows that the curves, as a function of measured bearing, only include the one- andtwo-cycle sinusoidal components. It also indicates that the larger the site errors which DFhas, the larger the amplitude of the site gain curve. In this LLS, the ranges of site gainare 0.9--1.2, 0.85--1.05, 0.9--1.1 for DF1, DF2 and DF3 respectively. For discussion, we suggested a model for site gains due to dipole radiation. This modelcan be used to reasonably explain the characteristics of structure of site gain curves. 相似文献
87.
The ideal scalar Aharonov–Bohm (SAB) and Aharonov–Casher (AC) effect involve a magnetic dipole pointing in a certain fixed direction: along a purely time dependent magnetic field in the SAB case and perpendicular to a planar static electric field in the AC case. We extend these effects to arbitrary direction of the magnetic dipole. The precise conditions for having nondispersive precession and interference effects in these generalized set ups are delineated both classically and quantally. Under these conditions the dipole is affected by a nonvanishing torque that causes pure precession around the directions defined by the ideal set ups. It is shown that the precession angles are in the quantal case linearly related to the ideal phase differences, and that the nonideal phase differences are nonlinearly related to the ideal phase differences. It is argued that the latter nonlinearity is due to the appearance of a geometric phase associated with the nontrivial spin path. It is further demonstrated that the spatial force vanishes in all cases except in the classical treatment of the nonideal AC set up, where the occurring force has to be compensated by the experimental arrangement. Finally, for a closed space-time loop the local precession effects can be inferred from the interference pattern characterized by the nonideal phase differences and the visibilities. It is argued that this makes it natural to regard SAB and AC as essentially local and nontopological effects. 相似文献
88.
K.D. Setzer 《Journal of Molecular Spectroscopy》2003,221(1):127-130
Emission spectra of the 0-0 band of the a1Δg→X3Σ−g magnetic dipole transition of S2 have been observed in the near-infrared spectral region near 4400 cm−1. The S2 molecules were generated in a fast-flow system by passing Sx or S2Cl2 vapor in Ar carrier gas through a microwave discharge and were excited by electronic-to-electronic energy transfer from metastable singlet oxygen O2(a1Δg). Medium-resolution spectra of the b1Σ+g→X3Σ−g and a1Δg→X3Σ−g transitions of S2 were measured with a Fourier-transform spectrometer. By comparing the bandshape of the 0-0 band of the a→X system with a computer simulation calculated with literature data of the rotational constants of the X and a states, the origin of the 0-0 band was determined to be ν0=4394.25±0.2 cm−1. 相似文献
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The electric field of the microtubule is calculated according to its dipole distribution. The conformationalchange of a molecular motor is described by the rotation ofa dipole which interacts with the microtubulc. The mricalsimulation for the particle current shows that this interaction helps to produce a directional motion along the microtubule.And tte average displacement executes step changes that resemble the experimental result for kinesin motors. 相似文献