³¹P NMR spectra of Langendorff-perfused rat and rabbit hearts were measured.Well resolved peaks of PCr, ATP, P_i, PME and GPC Were Observed over 3-5min accumulation times with enough S/N ratios to quantitate these phosphate metabolites.The energy stores of rat hearts were stable for at least 2h as shown by the good stabilities of the peak intensities of ATP and PCr,as well as the coronary flows under our experimental conditions.With the method we established,³¹P NMR spectra of a rat heart during 21 min ischemia and 12min reperfusion were obtained consecutively.The relative Changes between ATP, PCr and P_i Peak intensities were observed over this time course.

Seven spin-labeled polyphosphates were synthesized by the polycondensation of O-(1-oxyl-2, 2, 6, 6-tetramethyl-4-piperidyl) phosphoric acid dichloride with tetraethylene glycol, triethylene glocol, diethylene glycol, 1, 6-hexanediol, 1,8-octandiol, N-ethyldiethanolamine and N-butyldiethanolamine, respectively.The structures of these stable nitroxyl-labeled polyphosphates were characterized by IR, UV, ESR, VPO and Elemental analysis. The relaxivity (R_i) of polyphosphate 3a,3c and 3d was investigated.

The ¹³C NMR speatral parameters of 2-Thiono-2-diethylamino-3-substitutedbenzoyl (phenylsulfonyl)-1,3,2-oxazaphospholidines have been determined in CDCl₃ solutions. For the first time a two-bond temperature-dependent ¹³C-³¹P nuclear spin coupling was observed for the N-diethylamino carbon in O-substituted benzoy1-1,3,2-oxazaphospholidines, because the steroconformation of the carbonyl group and the benzene ring varied with temperature.

Based upon a measurement of chemical shift differences between the α phosphoryl and β phosphoryl resonances in the ³¹P spectrum of intracellular ATP in human lyphoma cell line Molt-4, the fraction of total ATP that is complexed to Mg²⁺ was estimated. Cytosolic free magnesium ion concentration in Molt-4 cells was determined noninvasively to be 0.258 mmol/L.

The ¹H NMR and ¹³C NMR of a series of compounds of optically pure 5-(1-menthyloxy)-3,4-disubstituted-2(5H)-furanone are reported. The effect of substituent groups on structure and NMR parameter has been studied.

A series of novel cadmium chelating agent, N-glueamyl-amino acids were synthesized. In the present paper their ¹H NMR data are reported. The results indicate that when amino acid contain hydroxyl, thiol or benzy1 group as the side chain,the protons of glucamyl will shift up field. Perhaps these groups are disadvantageous for the formation of the internal salts of amino acids and will be responsible for the up field shift mentioned. The bioassy shows that these compounds containing special side chain are better than glycine derivative on cadmium excretion.

Two new flavonoids isolated from Blumea Balsmifera were identified as 3, 5,3-trihydroxy-7,4-dimethoxy-flavone(Ⅰ),and 3,5,3,4-tetrahydroxy-7-methoxyflavone(Ⅱ) respectively on the basis of the data of NMR. MS. IR and UV.

A new sesquiterpene lactone was isolated from the roots of Ligularia intermedia,named as intermedoxide A. All the ¹H and ¹³C NMR chemical shifts of the compound were assigned by ¹³C-¹H COSY, ¹H-¹H COSY, ¹H-¹H NOESY and ¹³C-¹H COLOC LR 2D NMR techniques. Its relative configuration is discussed here.

²⁹Si NMR spectra of the synthetic samples cemented by kaolinite and goethite show that their cementation nature is to form hydrogen bonds between kaolinite and goethite.

The interaction between copper zinc superoxide dismutasc and some small biological molecules were studied by ESR, NMR and other biochemical methods. These biological molecules consists of amino acids, nucleic acid bases, ascorbic acid and others. It's found that the Cu²⁺ in the active site of the enzyme can be extracted out by amino acids, bases and ascorbic aied, distributed in solution as copper complexes, with the inactivation of the enzyme. The amount of the Cu²⁺ extracted out and the extent of inactivation are dependent of the amount of this biological ligand and its interaction ability. Besides, by the way of the interaction of amino acid and the enzyme, the conformational changes of the enzyme molecule resulted by guanidine hydrochloride denaturation and thermal denaturation can be studied effectively and visually by ESR method.

We have developed a 2D NOE analysis software into 3D version. A mathematical model was proposed, which express the relationship between 2D NOE and 3D NOE-NOE peakes. And the stroage space and CPU time was balanced.

Systematic studies were made on graph theory in quantitative structure-activity/property relationships (QSAR/QSPR).Chemical shift sums for ¹³C NMR in alkanes were well correlated with a novel molecular graph index,call L-index,as a simple proportional equation with good results:CSS=s·L=14.9 L(r=0.992).

NMR spectra from 7 new kinds of α, α'-dioxoketene cyclic dithioacetals are reported in this paper. The structures were determined by ¹H、¹³C NMR spectra etc., and the chemical shins of all NMR peaks have been assigned. The effects of structures on the chemical shifts are discussed.

Based on the interpretation of the pulse sequence program, we have built a computer simulation software. The software is suitable for any pulse sequence in MRI, It consistS of severval parts f the physical model of MRI sample, the simulation of the MRI process, rearrangement of the FID signals, and fourier transformations or imageback projection reconstruction. We describe shortly the behaviour of spin system in MRI process and the idea of the software designing. We selected two famous MRI methods:GE and SEPI as examples to introduce the use of this simulation software.

An apparatus for the in situ NMR studies of intermediates on the homogeneous catalysis and synthesis of organophosphines is described. Using this technique, the hydroformylation of 1-hexene with rhodiumphosphine complex Rh(acac) (CO) (PPh₃)under the industrial reaction conditions (H₂/CO=1:1,1.5 MPa; 75~80℃) was studied.At same time, under the following reaction conditions:temperature 70~75℃, pressure 2.0MPa, solvent C₆D₆ and initiator AIBN, the reactions of PH₃ with olefins containing N atoms were also studied.