• Archives of Pharmacal Research
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• 제15권4호
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• pp.298-303
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• 1992

Synaptosomal plasma membrane vesicles (SPMV) were isolated from fresh bovine cerebral cortex. The effects of barbiturates on the rotational relaxation time of 1.6-diphenyl-1, 3, 5-hexatriene (DPH) in intact SPMV and model membranes of total lipids (SPMVTL) and phosphlipids (SPMVPL) extracted from SPMV were examined. Barbiturates decreased the rotational relaxation time of DPH in intact SPMV in a dose-dependent manner. In contrast, they did not affect the rotational relaxation time of DPH in SPMVTL and even dose-dependently increased the rotational relaxation time of DPH in SPMVPL.

• 한국자기공명학회논문지
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• 제2권1호
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• pp.66-83
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• 1998

Study on spin-rotation relaxation of nuclear spins located on a methyl group can reveal valuable dynamic information related to the internal rotation of methyl group itself. Toward this end we have measured methyl carbon-13 spin-rotation of methyl group itself. Toward this end we have measured methyl carbon-13 spin-rotational relaxation rate in toluene and 2-chloro-p-xylene over the temperature range of 179-363K. To interpret the temperature dependence of measured spin-rotational relaxation rate we have revised the temperature dependence of measured spin-rotational relaxation rate we have revised the expression derived thus far by other authors and reproduced experimental data on the basis of the newly derived expression. The results confirmed that our expression leads to better agreement with experimental data than the previous one over observed temperature range, especially at high temperature.

• Bulletin of the Korean Chemical Society
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• 제12권1호
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• pp.47-51
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• 1991

Spin-lattice relaxation of methyl protons in 2,6-dichlorotoluene and N-methyl phthalimide, each dissolved in CDCl$_3$, has been studied at 34$^{\circ}$C and the contribution from spin-rotation interaction to the relaxation process has been separated from that due to dipole-dipole interactions among methyl protons. The results show that the spin-rotational contributions to the initial rate of relaxation in 2,6-dichlorotoluene and N-methyl phthalimide amount to 18 and 31%, respectively, of the total relaxation rate at 34$^{\circ}$C. The method of separating the spin-rotational contribution from that of dipolar interactions adopted in this paper is based on the well known fact that in an A$_3$ spin system such as methyl protons in liquid phase dipolar relaxation mechanism gives non-exponential decay of the z-component of total magnetization of protons while the random field fluctuation such as spin-rotational mechanism causes exponential decay.

• Archives of Pharmacal Research
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• 제16권2호
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• pp.118-122
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• 1993

The effects of n-alkanols on the rotational relaxation time of 1, 6-dipheny-1, 3, 5-hexatriene (DPH) in synaptosomal plasma membrane vesicles isolate from fresh bovine cerbral contex were investigated. n-Alknols decreased the rotational relaxation time of 1, 6-diphenyl-1, 3, 5-hexatriene in the native membranes and the potencies of n-alkanols up to 1-nonanol increased by 1 order of magnitude as the carbon chain length increases by two carbon atoms, The cut-off phenomenon was reached at 1-decanol, where further increase in hydocabon length resulted in an increase in the rotational relaxation time of DPH in the native membranes.

• International Journal of Aeronautical and Space Sciences
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• 제18권1호
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• pp.28-37
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• 2017

Recent modeling of thermal nonequilibrium processes in simple molecules like hydrogen and nitrogen has indicated that rotational nonequilibrium becomes as important as vibrational nonequilibrium at high temperatures. In the present work, in order to analyze rovibrational nonequilibrium, the rotational mode is separated from the translational-rotational mode that is usually considered as an equilibrium mode in two- and multi-temperature models. Then, the translational, rotational, and electron-electronic-vibrational modes are considered separately in describing the thermochemical nonequilibrium of nitrogen behind a strong normal shock wave. The energy transfer for each energy mode is described by recently evaluated relaxation time parameters including the rotational-to-vibrational energy transfer. One-dimensional post-normal shock flow equations are constructed with these thermochemical models, and post-normal shock flow calculations are performed for the conditions of existing shock-tube experiments. In comparisons with the experimental measurements, it is shown that the present thermochemical model is able to describe the rotational and electron-electronic-vibrational relaxation processes of nitrogen behind a strong shock wave.

• Bulletin of the Korean Chemical Society
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• 제10권5호
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• pp.430-433
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• 1989

Molecular reorientation of oblate symmetric top molecules in the presence of internal rotation is investigated and an analytic expression for the spin-rotational relaxation rate of a nucleus attached to the internal rotor is obtained as a function of the internal angular momentum correlation time. The overall reorientation of the symmetric top is treated by the anisotropic rotational diffusion and the internal rotation is assumed to undergo modified extended rotational diffusion. The result is compared with the previous work for the prolate symmetric top molecule and it is shown that both results reduce to the same expression in the spherical top limit.

• 대한기계학회논문집B
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• 제28권12호
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• pp.1494-1500
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• 2004

A zero-dimensional direct simulation Monte Carlo(DSMC) model is developed for simulating diatomic gas including vibrational kinetics. The method is applied to the simulation of two systems: vibrational relaxation of a simple harmonic oscillator and translational-rotational-vibrational energy exchange process under heating and cooling. In the present DSMC method, the variable hard sphere molecular model and no time counter technique are used to simulate the molecular collision kinetics. For simulation of diatomic gas flows, the Borgnakke-Larsen phenomenological model is adopted to redistribute the translational and internal energies.

• Bulletin of the Korean Chemical Society
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• 제4권1호
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• pp.48-54
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• 1983

A magnetic nucleus located on an internal rotor can interact with magnetic fields arising from end-over-end molecular rotation as well as internal rotation. In this paper the expressions for spin-rotational relaxation times, $T_{1.SR}\;and\;T_{2.SR}$, are derived for such nucleus with the anisotropy of molecular rotation explicitly taken into consideration. The derived expressions are shown to be composed of two parts, the contribution from spin-overall-rotation coupling and that from spin-internal-rotation coupling. Some remarks on the use of derived expressions are also provided.

• Investigative Magnetic Resonance Imaging
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• 제3권2호
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• pp.159-166
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• 1999

Purpose : To evaluate the effect of rotational correlation time (${\tau}_R$) and the possible related changes of other parameters, ${\tau}_M,{\;}{\tau}_S,{\;}and{\;}(\tau}_V$ of gadolinium (Gd) chelate on T1 relaxation enhancement in two pool model. Materials and Methods : The NMRD (Nuclear Magnetic Relaxation Dispersion) profiles were simulated from 0.02 MHz to 800 MHz proton Larmor frequency for different values of rotational correlation times based on Solomon-Bloembergen equation for inner-sphere relaxation enhancement. To include both unbound pool (pool A) and bound pool (pool B), the relaxivity was divided by contribution from unbound pool and bound pool. The rotational correlation time for pool A was fixed at the value of 0.1 ns, which is a typical value for low molecular weight complexes such as Gd-DTPA in solution and ${\tau}_R$ for pool B was changed from 0.1 ns to 20 ns to allow the slower rotation by binding to macromolecule. The fractional factor of was also adjusted from 0 to 1.0 to simulate different binding ratios to macromolecule. Since the binding of Gd-chelate to macromolecule cab alter the electronic environment of Gd ion and also the degree of bulk water access to hydration site of Gd-chelate, the effects of these parameters were also included. Results : The result shows that low field profiles, ranged from 0.02 to 40 MHz, and dominated by contribution from bound pool, which is bound to macromolecule regardless of binding ratios. In addition, as more Gd-chelate bound to macromolecule, sharp increase of relaxivity at higher field occurs. The NMRD profiles for different values of ${\tau}_S$ show the enormous increase of low field profile whereas relaxivity at high field is not affected by ${\tau}_S$. On the other hand, the change in ${\tau}$V does not affect low field profile but strongly in fluences on both inflection fie이 and the maximum relaxivity value. The results shows a fluences on both inflection field and the maximum relaxivity value. The results shows a parabolic dependence of relaxivity on ${\tau}_M$. Conclusion : Binding of Gd-chelate to a macromolecule causes slower rotational tumbling of Gd-chelate and would result in relaxation enhancement, especially in clinical imaging field. However, binding to macromolecule can change water enchange rate (${\tau}_M$) and electronic relaxation ($T_le$) vis structural deformation of electron environment and the access of bulk water to hydration site of metal-chelate. The clinical utilities of Gd-chelate bound to macromolecule are the less dose requirement, the tissue specificity, and the better perfusion and intravascular agents.

• Bulletin of the Korean Chemical Society
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• 제14권1호
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• pp.91-95
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• 1993

In this work we have studied the spin-lattice relaxation of $^{19}$F spins in benzotrifluoride in our quest for a reliable method of discriminating the contribution due to dipolar relaxation mechanism from that due to spin-rotational mechanism for nuclear spins located on methyl or substituted methyl group in organic molecules. Over the temperature range of 248-268 K the decay of normalized longitudinal magnetization was found to be well described by a two parameter equation of the form R(t) = exp(-st){$\frac{5}{6}$exp(-s$_1$)+$\frac{1}{6}$} which was derived under the assumption that interactions in the A3 spin system are modulated randomly and predominantly by internal rotational motions of -CF_3$ top, and it was shown that the separation of contribution due to dipolar interactions from that due to spin-rotation interaction could be successfully achieved by least-square fitting of observed data to this equation. The results indicate that the spin-rotational contribution is overwhelmingly larger than that of dipolar origin over the given temperature range and becomes more deminating at higher temperature.