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Chinese Journal of
Magnetic Resonance
(Quarterly, Started in 1983)
Editor-in-Chief: LIU Mai-li
Sponsored by
Wuhan Institute of Physics and Mathematics, CAS
Published by Science Press, China
Distribution Code: 38-313
Pricing: ¥ 80.00 per year
Current Issue
       Volume 14 Issue 6, 05 December 1997 Previous Issue   Next Issue
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    STUDYING CHEMICAL REACTION BETWEEN NITROGEN OXIDES AND CHLORINATED HYDROCARBON BY LMR
    He Kuanglin, Zhang Jinsong, Lu Miaoqin, Long Yiaoting, Xu Guangzhi
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 463-468.  
    Abstract     HTML ( )   PDF(388KB)
    Chemical reaction between nitrogen oxides and dichloromethane, trich-loromethane, tetrach loromethane and 1,2-dichloroethane Lave been studied by Laser Magnetic Resoance through determination of NO/NO2 signals. In ultra-violet light and spark discharge respectively, dichloromethane,trichloromethane, tetrachloromethane and 1,2-dichloroethane can react with NO/NO2 rapidly. All of them are of great importance for understanding atmospheric chemical reaction and photochemical smog.
    ESR STUDY ON THE PHOTOOXIDATION PROCESSES OF STILBENE ON CdS COLLOID SURFACE AND IN ALCOHOL SOLUTION
    Chen Dewen, Liu Yanqiu, Lu Daohui, Xu Guangzhi
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 469-478.  
    Abstract     HTML ( )   PDF(642KB)
    The radical intermediates and reaction mechanism in the photooxidation of cis-and trans-stilbenes on the CdS colloid surface as well as in ethyl alcohol solution have been studied by spin-trapping ESR method. Results indicated that superoxide anion radical O2- and stilbene cation radical were gellerated in photooxidation processes, and atomic H were also formed on the surface of CdS colloid particles; the hydroxyl free radical played an important role in the formation of atomic H; ESR signal of O2- radical was observed in the presence of methyl viologen; OOH radical was produced in the presence of small amount of water; OH and carbon-centered radicals were formed in the presence of rather large amount of water; reaction rate was very slow for direct photooxidation processes. Reaction mechanisms for different processes were discussed.
    HARTLEY TRANSFORM BASED MAGNETIC RESONANCE IMAGING
    Wang Weidong, Bao Shanglian, Zu Donglin
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 479-484.  
    Abstract     HTML ( )   PDF(404KB)
    Many magnetic resonance imaging (MRI) applications requires the acquisition of a time series of images with both spatial and temporal high-resolution as well as with an orthogonal dualchannel. In conventional Fourier transform (FT) based imaging methods, on the one hand, each of these images is independently reconstructed from a frame of spatial encodings, so that temporal resolution is limited by the number of the spatial encodings of each frame collected in the case of given spatial resolution, or one has to sacrifice spatial resolution to obtain temporal resolution. On the other hand, the dual-channel data in Fourier space are independently acquired and reconstructed, then the MR image is obtained by the square modulus, so that the simplicity and efficientibility of computation are affected. In this paper, Hartley transform (HT) based MR imaging technique are proposed to address this problem. This technique makes use of the fact that MR images are real, and the support extent of high-resolution image (morphology) does not change from one image to another in most time-sequential imaging problem, and which helps to improve imaging efficiency and resolutions, and to reduce the complexity of MRI system over the conventional Fourier imaging method by eliminating the repeated encodings of this stationary information. This method should prove useful for a variety of dynamic imaging applications such as dynamic studies of functional brain imaging.
    DETERMINATION OF pKa VALUES AND THERMODYNAMIC PARAMETER OF PYRIDINE AND 2,6-LUTIDINE BY 1H NMR
    Yang Xujie, Huang Hairong, Liu Jinsong, Liu Xiaoheng, Lu Lude, Wang Xin
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 485-490.  
    Abstract     HTML ( )   PDF(311KB)
    In this experiment, a series of the pyridine and 2,6-lutidine solutions with different pH values were preparcd, then the 1H spectrum of each sample was measured with a 80MHz NMR spectrometer.Therefore, the pKa values depending on both the pH value and ionic concentration of the solution were calculated and thermodynamic parameters △G, △H and △S were obtained according to the data gotten through changing the experimental temperature of the system.It is shown that the NMR method is reliable and more convenient than conventional pH method when applied to the determination of pKa and thermodynamic parameters of pyridine and 2,6-lutidine solutions.
    13C NMR SPECTRA OF THE PRODUCT OF THE CATALYTIC HYDROGENATION OF β-ELEMENE
    Hu Jiehan, Cheng Guobao, Gong Guoliang, Wang Wanjun, Xu Yongting
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 491-493.  
    Abstract     HTML ( )   PDF(183KB)
    In this paper, the 13C NMR spectra of the products of catalytic hydrogenation of a new antitumor drug-β-elemene were recorded, and assigned based on the noise broadband decoupling and DEPT techniques, as well as on comparision with the spectra of β, γ,δ-elemene.
    THE CHARACTER OF BHP IN COIL WITH NMR
    Chen Wenwu, Li Fuling, Liu Wanfa, Han Xiuwen, Chen Fang, Yang Bailing, Zhuang Qi
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 495-498.  
    Abstract     HTML ( )   PDF(219KB)
    The research confirmed directly for the first time that there are O2H- in Basic Hydrogen Peroxide(BHP) which is the reactant used in Chemical Oxygen-Iodine Laser (COIL), and obtained its chemical shift δ=4.74(263K). Simultaneously, we produced a method to measure the concentration of O2H- in BHP.
    STUDIES ON THE ACYL FUNCTIONS AND THEIR SUBSTITUTION SITE IN FLAVONOID GLYCOSIDES
    Li Wenkui, Xiao Peigen
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 499-506.  
    Abstract     HTML ( )   PDF(454KB)
    This paper deals with studies on the acyl functions and their substitution site in flavonoid glycosides. As an example, the structure of a navonol glycoside with two glucose units, one rhamnose unit and three acetyl groups in the molecule was studied by means of 2D NMR analyses. For the purpose of systematization of research on the acyl fiavonoid glycosides, a summary was made for acyl functions found in flavonoid glycosides and their 13C NMR chemical shift. On the other hand, the chemical shift effects of acyl groups in the flavonoid glycosides was analysed.
    DNEURAL NETWORKS IN SPECTROSCOPY Estimation and Prediction of Chemical Shifts of 13C NMR in Alkanes by Using Subgraphs
    Li Zhiliang, Huang Ying, Hu Fang, Sheng Qiting, Peng Shangyang, Mo Liyu, Chen Gang, Yu Banmei
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 507-514.  
    Abstract     HTML ( )   PDF(557KB)
    In this article, neural networks (NN) with modified backpropagation (MBP) were employed for estimation and prediction of 13C NMR chemical shifts in alkanes from one or two through nine or ten carbon atoms. Carbon atoms in alkanes were determined by 16 descriptors which correspond to the so-called embedding frequecies of rooted subtrees or rooted subgraphs. These descriptors were equal to appearance numbers of smaller substructural skeletons composed of one through six carbon atoms (C1~C6). It was demonstrated that the employed descriptors offered a quite useful formal technique for the proper and adequate description of environment of carbon atoms in alkanes. Neural networks with different numbers of hidden neurons were examined. NN with three hidden neurons gave the best results. The results of NN computation were compared with those of multiple linear regression (MLR) calculations. Good results were obtained by both techniques.
    THE CALCULATION OF DOUBLE BOND 13C NMR CHEMICAL SHIFT IN BICYCLIC AND POLYCYCLIC COMPOUNDS
    Yu Zhili
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 515-520.  
    Abstract     HTML ( )   PDF(302KB)
    In this paper the calculation of double bond 13C NMR chemical shift in Bicyclic and Polycycliccompounds was reported.
    1H AND 13C NMR ASSIGNMENT OF WILFORGINE BY 2D NMR TECHNIQUES
    Wang Taotao, Wang Hanqing, Wang Min
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 521-526.  
    Abstract     HTML ( )   PDF(317KB)
    The 1H and 13C NMR assignments of wilforgine were carried out. Complete assignments of proton and carbon resonances were made with the aid of 1H-1H COSY, 1H-13C COSY, TOCSY, and COLOC techniques.
    HEXAMETHYLENE BISACETAMIDE (HMBA) EFFECTS ON ESR SPECTRA OF TEMPO LABELING IN PROTEINS
    Xie Dongxu, Feng Liangbo, Li Shuben, Ren Liqin
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 527-532.  
    Abstract     HTML ( )   PDF(336KB)
    An ESR spectrum of 4-hydroxy-2,2,6,6-tetramethylpiperidine-N-oxyl (TEMPO) labeled on human bladder carcinoma (BIU-87) cells and its fraction was detected for the effect of HMBA which can induce many types of tumor cells differentiation toward normal cell. TEMPO molecules might be located inside proteins. Bound TEMPO molecules, at least some of them, are reversible at the existance of hexamethylene bisacetamide (HMBA).These results suggest that they must be involved in the direct action on some proteins during HMBA's inducing the differentiation of tumor cells.
    NMR AND IR STUDIES OF TERNARY COMPLEXES FOR La AND Eu WITH 1,10-PHENANTHROLINE AND L-GLUTAMIC ACID
    Yang Qiuqing, Lj Linshu, Zhu Zhijia
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 533-537.  
    Abstract     HTML ( )   PDF(301KB)
    The binary and ternary complexes of rare earth La and Eu with 1,10-phenanthroline and L-glutamic acid are synthesized. Their compositions confirmed by elemental analysis are Ln(phen)(Glu)3·7H2O(Ln=La, Eu) and Eu(Glu)3·12H2O.
    The coordination fashion of ligands and metal ions is studied by NMR and IR. The influence on NMR spectra by screening effect and paramagnetic character of rare earth ions are also discussed in this paper.
    The NMR studies show that La and Eu complexes have similar symmetric construction and irregular changes of chemical shifts. Glu and phen are simple dentate and bidentate ligand respectively. The coordination numbers of lanthanum and europium are five and three in ternary complex and in binary complex each. (Not including ligand of H2O in each complexes).
    ASSIGNMENT OF 1H AND 13C NMR SPECTRA OF 8-O-ACETYL-SHANZHISIDE METHYLESTER BY 2D NMR TECHNIQUES
    Wang Taotao, Shi Jiangong, Wang Min, Wang Hanqing
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 539-543.  
    Abstract     HTML ( )   PDF(269KB)
    An 8-O-acetyl-shanzhiside methylester was isolated from lamiophlomis rotata (Benth) Kudo and its structure was established by 1H and 13C NMR spectra studies. The 1H and 13C NMR chemical shift assignments for this compound were confirmed by the conventional 1D NMR and 2D NMR shift correlated techniques.
    ESR STUDY ON SUPERCONDUCTIVITY OF HIGH Tc OXIDES
    Liang Renyou, Hou Bihui
    Chinese Journal of Magnetic Resonance, 1997, 14(6): 545-550.  
    Abstract     HTML ( )   PDF(369KB)
    The lower critical field Hc1 (T) of superconductor was studied with the zero-field non-resonant absorption signals by ESR method. The experimental values of Hc1 (T) accord with Hc1 (T)=Hc1 (0)(1-T2/Tc2). The reason for the increase of Cu2+ ESR signal intensity with doping is also discussed.