13C NMR investigations of molecular order of rod-like,bent-core,and thiophene mesogens

In this review, methods to obtain the orientational order of topologically variant molecular mesogens using by one- and two-dimensional (2D) solid-state ¹³C nuclear magnetic resonance (NMR) spectroscopy are described. Besides ¹³C chemical shifts, the ¹³C─¹H dipolar couplings measured from 2D-separated local field (SLF) technique are used for computing the order parameters of a variety of mesogens. The investigated molecules are composed of a variable number of rings in the core, that is, core ranging from simply one ring to five rings. Among the mesogens investigated, a special focus has been placed on mesogens with thiophene rings, which are gaining popularity as liquid crystalline organic semiconductors. The replacement of a phenyl ring by thiophene in the core has a dramatic influence on molecular topology, as observed from the measured order parameters. The review highlights the advantages of the 2D SLF method for understanding the local dynamics and for mapping the topology of mesogens through the measured order parameters. SLF NMR studies of as many as 24 molecular mesogens that vary in terms of the molecular structure as well as topology are covered in the review. Order parameters of the rings have been estimated from the ¹³C─¹H dipolar couplings in the nematic, smectic A, smectic C, and tilted hexatic phases as well as in B₁ and B₂ mesophases of various mesogens. It is anticipated that, in the years to come, the 2D SLF method would provide advanced molecular information on structurally complex mesogens that are emerging in liquid crystal science through the incessant efforts of synthetic chemists. The mini review covers the orientational order of topologically variant molecular mesogens determined by 1D and 2D solid-state ¹³C NMR spectroscopy. Accordingly, rod-like, bent-core, and thiophene mesogens were subjected to 2D SLF measurements to get the order parameters from which the topology was established. The replacement of phenyl ring by thiophene and its influence on order parameters as well as on molecular topology is also discussed.     

Measurement of Residual Dipolar Couplings of Organic Molecules in Multiple Solvent Systems Using a Liquid-Crystalline-Based Medium

Residual dipolar coupling (RDC), a robust anisotropic NMR parameter for structural elucidation of organic molecules, is only accessible in an anisotropic environment. Herein, we introduce a novel alignment medium based on the molecular self-assembly of oligopeptide amphiphile (OPA). This medium is compatible with different intermediate and polar solvent systems, such as CD₃OD, [D₆]DMSO, and D₂O. The preparation of the OPA-based medium is simple and rapid, while only very weak background signals were observed from OPAs. Furthermore, we show that the purity of OPA has only a minor influence on the quality of the RDC data. These advantages allow RDC measurements of organic molecules with different polarities and solubilities with high efficiency and accuracy.     

Phase modulation in dipolar-coupled A2 spin systems: effect of maximum state mixing in H NMR in vivo

Coupling constants of nuclear spin systems can be determined from phase modulation of multiplet resonances. Strongly coupled systems such as citrate in prostatic tissue exhibit a more complex modulation than AX connectivities, because of substantial mixing of quantum states. An extreme limit is the coupling of n isochronous spins (A_n system). It is observable only for directly connected spins like the methylene protons of creatine and phosphocreatine which experience residual dipolar coupling in intact muscle tissue in vivo. We will demonstrate that phase modulation of this “pseudo-strong” system is quite simple compared to those of AB systems. Theory predicts that the spin-echo experiment yields conditions as in the case of weak interactions, in particular, the phase modulation depends linearly on the line splitting and the echo time.     

Sensitivity-enhanced IPAP experiments for measuring one-bond C–C and C–H residual dipolar couplings in proteins

Sensitivity-enhanced 2D IPAP experiments using the accordion principle for measuring one-bond 13C'-13Calpha and 1Halpha-13Calpha dipolar couplings in proteins are presented. The resolution of the resulting spectra is identical to that of the decoupled HSQC spectra and the sensitivity of the corresponding 1D acquisitions are only slightly lower than those obtained with 3D HNCO and 3D HN(COCA)HA pulse sequences due to an additional delay 2Delta. For cases of limited resolution in the 2D 15N-1HN HSQC spectrum the current pulse sequences can easily be modified into 3D versions by introducing a poorly digitized third dimension, if so desired. The experiments described here are a valuable addition to the suites available for determination of residual dipolar couplings in biological systems.     

On the spectra of finite-dimensional quadratic Bose operators

A complete study of the spectrum of a finite-dimensional Bose operator is carried out in the paper. The cases in which the spectrum is discrete or continuous are studied. Translated fromMatematicheskie Zametki, Vol. 61, No. 6, pp. 835–854, June, 1997. Translated by A. M. Chebotarev     

Effects of Spatial Noncommutativity on Energy Spectrum of a Trapped Bose-Einstein Condensate

In noncommutative space, we examine the problem of a noninteracting and harmonically trapped BoseEinstein condensate, and derive a simple analytic expression for the effect of spatial noncommutativity on energy spectrum of the condensate. It indicates that the ground-state energy incorporating the spatial noncommutativity is reduced to a lower level, which depends upon the noncommutativity parameter θ. The gap between the noncommutative space and commutative one for the ground-state level of the condensate should be a signal of spatial noncommutativity.     

体效应振荡器特性观测与使用实验教学研究

探讨了体效应振荡器特性观测与使用实验中，编写实验原理要应用能带结构解释负阻特性并通过对偶极畴生长和运动过程的描述说明振荡原理，提出了实验教学方案，从教学效果上分析了开设此实验的意义及合理性。     

Thermal Equilibrium Between Radiation and Matter

In 1916, Einstein rederived the blackbody radiation law of Planck that originated the idea of quantized energy one hundred years ago. For this purpose, Einstein introduced the concept of transition probability, which had a profound influence on the development of quantum theory. In this article, we adopt Einstein's assumptions with two exceptions and seek the statistical condition for the thermal equilibrium of matter without referring to the inner details of either statistical thermodynamics or quantum theory. It is shown that the conditions of thermodynamic equilibrium of electromagnetic radiation and the energy balance of thermal radiation by the matter, between any of its two energy-states, not only result in Planck's radiation law and the Bohr frequency condition, but they remarkably yield the law of the statistical thermal equilibrium of matter: the Maxwell–Boltzmann distribution. Since the transition probabilities of the modern quantum theory of radiation coincide with their definition in Einstein's theory of blackbody radiation, the presented deduction of the Maxwell–Boltzmann distribution is equally valid within the bounds of modern quantum theory. Consequently, within the framework of the fundamental assumptions, the Maxwell–Boltzmann distribution of energy-states is not only a sufficient, but a necessary condition for thermal equilibrium between the matter and radiation.     

相互作用对玻色气体热力学性质及稳定性的影响

根据由赝势法得到的非理想玻色气体的自由能和状态方程，研究了相互作用对凝聚温度的影响.从热力学角度揭示了存在引力作用时定压热容量、等温压缩系数、定压膨胀系数的反常热力学特性.研究了引力作用下玻色气体系统的不稳定性，给出了不稳定性的温度判据和粒子数密度判据. 关键词： 相互作用 玻色气体 热力学性质 不稳定性判据     

哈密顿算符的对角化与能量本征值问题的代数解法

提出了将哈密顿算符对角化的一种方法.围绕一维谐振子讨论了如何将哈密顿算符对角化、引进的是玻色算符还是费米算符的问题,并分析了能量量子化的原因及能量子与声子的区别.