在MATLAB平台(6.0版本) 上编写了灌流、弛豫和扩散成像参数分析软件，来处理肿瘤研究中灌流和扩散成像的数据. 该软件能从原始数据得到灌流，扩散系数及T₁弛豫时间等参数的分布图像，能进行局部区域数据分析. 该软件适用于Microsoft Windows 及UNIX计算机操作系统.

Hydrogen exchange between ammonium and water is revisited. Exchange rate constants, diffusion coefficients and relaxation times for solutions with var ied pH, temperature and concentration of a coexisting salt are measured using NM Rspectroscopy. It is demonstrated that the hydrogen exchange in ammonium soluti ons is independent of apparent diffusion. The mechanism involves chemical-bond/ h ydrogen-bond exchange. In solutions, water molecules, with the help of hydrogen - bonding, serve as abridge to connect the ammonium with its base partner ammonia . During hydrogen exchange, the ammonia accepts a hydrogen from water while the a mmonium donates a hydrogen to water, or ahydrogen jumps from water to ammonium  and at the same time another hydrogen jumps back from ammonium to water. There is nonet hydrogen transfer between ammonium and water. At lower pH, the concentr ation of ammonia becomes lower and less ammonium-water-ammonia complex is form ed . As aresult, the probability of the hydrogen exchange is reduced. This explain s why at lower pH hydrogen exchange is slow, a common phenomenon observed in bio logical hydrogen exchange systems.

Amabiose, a new disaccharide derivative with a novel skeleton, was isolated from  the rhizomes of Hemsleya amabilis. Its structure was elucidated unambiguous ly by spectroscopic means and chemical reaction, including 2D ¹H-¹H C OSY, HMQC, HMBC spectra and X-ray analysis.

A new anthracenone, named 1,8-dihydroxyl-3-methyl-benzo［d,e］anthracen one, was isolated from Aloe. The complete assignments of ¹H and ¹³C NMR chemi cal shifts of this compound were carried out by means of 2D NMR techniques.

The structure and stereochemistry of two new 4β-5-Fu-substituted-4′-deme thyl-epipodophyllotoxin compounds were determined by 2D NMR spectroscopy. Their ¹H and ¹³C NMR spectra were assigned.

Complete ¹H and ¹³C NMR spectral assignments have been made  using ¹H-¹H COSY,  HMQC and HMBC techniques for two new active compounds extracted from greentea.

Candesartan Cilexetil is a novel nonpeptide angiotensinⅡ receptor antagonist. In this paper, the ¹H NMR、¹³C NMR data for Candesartan Cilexetil were  reported and the ¹H、¹³C chemical shifts of the compound  were assigned by the means of ¹H、¹H-¹H COSY、DEPT、HMQC and HMBC.

The perturbation formulas based on a cluster approach are presented in this pa per for the calculation of anisotropic g factors g_x, g_y and g_z for 3d⁷Co²⁺ ion in rhombic octahedral site. In these formulas, the contributions from covalenc y effects, configuration interaction and rhombic crystal field are considered an d the parameters related to the three contributions can be determined from the o ptical spectra and the structural data of the studied crystals. From these formu las, the EPR parameters g_x, g_y and g_z for Co²⁺ in rhombic MgF₂ and  ZnF₂ crystals are calculated. The results are in agreement with the   experimental values.

A quantitative method of determination of rock properties from cuttings using nuclear magnetic resonance technology is given. On the basis of laborater y  experiment, differences between cuttings analysis and core analysis are studied and the feasibility of on site nuclear magnetic resonance cuttings analysis  is investigated. The method to determine the rock properties such as porosity, permeability etc. from cuttings using nuclear magnetic resonance technology is also given.

This paper provides a equation^[1]: δ_cal=δ₀+Δo+Δm+Δp  for calculation of ¹⁷O chemical shifts of substitute d methylphenylethers. 20 substituent parameters are gained by linear least square regression analysis. The calculated results are checked regressively by 101 ¹⁷O-NMR chemical shifts of 78 substituted methylphenylethers. The confidence  limit is 99.5%  and calculating errors for about 90% of the compounds are less than 5 ppm (with relative errors of 0.5%).

In the present paper, various chemical shifts of ¹³C NMR for differe nt chemically equivalent carbon atoms in nineteen natural flavonols and twenty one natural flavones were estimated and /or predicted using the atomic electr onegative distance vector(VAED) with 4-element parameter: The sample numbers  N, correlation coefficients R, standard deviation SD, F-statistic value F, regression quadratic sum and residual quadratic sum.are N=285, R=0.796, SD=14.734 , F= 162.315, U=105705.359, Q=60999.156; N=315, R=0.884, SD=12.381, F=369.114, U=1697 45.141, Q=47673.375; N=600, R=0.831, SD=14.122, F=443.449, U=265310.563 and Q=118 859.906, for flavonols, flavones, and flavonoids, respectively. Finally, cross  validation with the leaveone out (LOO) procedure was made by the QSSR equations for all carbon atoms,  with the good results obtained. A relative  reliable correlation model has been developed by the atomic electronegative distance vector , as adjoin structural descriptors. The modelling results were fairly good.

A series of 2D NMR techniques, including COSY, HMQC and HMBC, were applied to the assignments of all their carbon and proton signals of lililancifoloside A  (diosgenin 3-O- {O-α-L-rhamnopyranosyl(1→2)-O-［α-L-arabinopyr anosyl(1→3)］-β-D- glucopyranoside})  and ophiopogonin D′. The NMR charact eristics of steroidal saponins for diosgenin type were summaried. Lililancifolos ide A is a new compounds isolated from the bulbs of Lilium lancifolium Thunb . by  authors. Ophiopogonin D′is a known compound isolated from the title plant and  its carbon and proton signals were assigned for the first time.

A 8-O-4′neolignan glycoside, citrusin A, was isolated from the BuOH-sol uble fra ction of the ethanol extract of Glehnia littoralis. In addition to conventio nal 1D NMR methods, 2D NMR techniques (COSY, HMQC and HMBC) wer e used for the proton and carbon signals assignments. The difficulty in determining J_{7, 8} value s could be overcomed by using DMSO-d₆ and D₂O instead of CD₃OD as a solvent.

A novel compound named Indigoticoside A (3-(4-O-β-D-glucopyranosyl-α -hydroxy-3-methoxy-benzyl)-4-(4-hydroxy-3-methoxy-benzyl) tetrahydrofuran) was se perated  from the antiviral site of Isatis indigotica Fort. by solvent and chromatogr aphy . ¹H and ¹³C signals of the novel compound were assigned by  spectroscopic methods.

A compound named 5-carboxymethyl-7-hydroxy-2-methylchromone was isolated fr om th e antibiotic and antiphylogistic active site of Polygonum cuspidatum Sieb.et  Zuc c. ¹H, ¹³C-signals of the compound were assigned first time by t he means of 2D NMR spectra.

The technology of HPLC-NMR can act as an import action in the structure determi n ation of small amount mixtures difficult to separate. This technology can decrea se the difficulty in structure determination of the mixtures, improving the effi ciency, and worthy of being probed further during the work of separation and det ermination of small amount natural products. together with some other methods, s uch as Nano probe technology, relatively veracious ordinary NMR spectral excludi ng the disturbing impurity, the structures can be confirmed. this paper will giv e a description of this method that analyzes a few mixtures from natural product s.