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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.
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.
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HARTLEY TRANSFORM BASED MAGNETIC RESONANCE IMAGING
Wang Weidong, Bao Shanglian, Zu Donglin
Chinese Journal of Magnetic Resonance, 1997, 14(6): 479-484.
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.
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DETERMINATION OF pKa VALUES AND THERMODYNAMIC PARAMETER OF PYRIDINE AND 2,6-LUTIDINE BY 1 H NMR
Yang Xujie, Huang Hairong, Liu Jinsong, Liu Xiaoheng, Lu Lude, Wang Xin
Chinese Journal of Magnetic Resonance, 1997, 14(6): 485-490.
In this experiment, a series of the pyridine and 2,6-lutidine solutions with different pH values were preparcd, then the 1 H 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.
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13 C 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.
In this paper, the 13 C 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.
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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.
The research confirmed directly for the first time that there are O2 H- 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 O2 H- in BHP.
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DNEURAL NETWORKS IN SPECTROSCOPY Estimation and Prediction of Chemical Shifts of 13 C 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.
In this article, neural networks (NN) with modified backpropagation (MBP) were employed for estimation and prediction of 13 C 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.
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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.
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.