Rare constants of electron exchange between thian threne and its canon radical percblond in the fast-exchange and slow-exchange regions were determined by ESR and NMR line-broadening effect.

Liguid perfusion and molecular diffusion in porous media result in a phase distribution in each voxel in the presence of magnetic field gradients.Apparent Diffusion Coefficient(ADC) images then can be obtained by using appropriate high gradient pulses. Experiments were carried out on a 4.7T MRI system. Diffusion coefficient were measured on images of water and acetone phantoms.Images obtained in porous media with different velocities were analysed in terms of ADC.

A series of Molybdenum (Tungsten)-Copper-Sulphur-Dialkyldithiocarbamate of cluster compounds have been studied by ¹H, ¹³C,and ⁹⁵Mo NMR techniques, Several reactions of MoO_nS4-n^2-(n=0,2), CuCl, R₂dtc(R₂=Me₂Et₂) were monitored by dgnamic ⁹⁵Mo NMR and the synthetic reaction scheme of the compounds are deduced on the dynamic data.

The preparation for binary and ternary solid complexes of rare earth Eu³⁺ with pyridine-2,6-dicarboxylic acid(H₂DPC) and 1,10-Phenanthroline are reported in this article. Their compositions confrmed by elemental analysis, being binary Na₃[Eu(DPC)₃]·2H₂O and ternary NaEu(DPC)₂·Phen·4H₂O. Their structures were studied by ¹H、¹³C、¹⁴N N-MR and ER spectra. The pyridine-2,6-dicarboxylic acid is a tridentate ligand. Two coordination numbers of europium are nine and eight in binary and ternary complexes respectively.

An additive variation of NMR chemical shift related to conformation of protein and peptide is named secondary chemical shift (△δ). Based on the chemical shift data of residues, the relationship between chemical shift of αH. NH. ¹³Cα.¹³CO and the secondary structure has been surveyed. In most α-helical structures, the △δ_αH and △δ_NH of a residue show reverse phase variation and the periodicity of △δ_αH. and △δ_NH is ca.3.6 residues/Cycle, which is in accordance with that of a-helix. Furthermore, the periodic feature is also found in △δ_{¹¹Ca and △δ¹³co in belieal segments. However, in the case of β-sheet and other structures, it does not imply this characteristic secondary chemical shift. The hydrogen bond effect among peptide chain probably caused the periodic variation of the secondary chemical shift is also discussed.}

The ring structures in the ketals obtained from the reactions of atactic PVA with acetone and butanone have ben studied by ¹³C NMR. It was found that PVAand acetone mainly formed six-member ketal ring. On the contrary, butanone formed eight-and ten-member rings boldes the six-member ring, moreover, the methyl groups were all in axial conformations while the ethyl groups were in equatorial conformations. The concentrations of different hotal rings and the reaction equilibrium constants were also calculated through the ¹³C NMR data.

The usquiterpenoids herbadysidilide (1) and furodysinin lactonc (2) were isolated from the South China Sea sponge Dysidea fragilis. Their structures were elucidated by ¹H, ¹³C NMR, selective long-range DEPT ¹³C NMR, ¹H-¹H COSY and ¹³C-¹H COSY spectroscopy. The ¹H and ¹³C NMR data of 1 and 2 were assigned. The bioactivities of 1 and 2 were also studied.

In this paper, ¹³C NMR study on 16 kinds of 2(1H)-quilinones and their derivatives of open ring is reported, the chemical shifts of all carbon atoms in the parents of substituted quilinones and their side chains are assigned and the regularity change of chemical shifts for the carbon atoms in the parents substituted by halogens is discussed. Up to now, ¹³C NMR data of none of these new synthesized compounds has been reported in the world.

In the presence of ultrasonically dispersed potassium or his-quaternary ammonium salts, 2, 5-piperazinedione condenses with α,β-unsaturated aldenhydes. The stereochemistry of the pmducts. was confirmed and ¹H chemical shifts of the products were assigned by sorts of spectroscopic and chemical methods.

In the present paper a series of 1,2-disubstituted-, 1,2,3-trisubstituted-1,2,3,4 tetrahydro-tetrahydro-β-carbolines, and substituted indolo[2, 3-a] quinolizines were characterized by high resolution NMR. The stereochemistry of some compounds were discussed based on two dimensional NOE spectra. In methyl 1-(2,2-dimethoxyethyl)-2-(Boc-Gly)-1, 2, 3, 4-tetrahydro-3-carbolinecarboxylate (I) there is NOE correlation between 1-H and 3-H of isomer Ⅰ_b only, suggesting a configuration of 1R, 3S for Ⅰ_a and a configuration of 1S, 3S for Ⅰ_b In 1-(2,2-dimethoxyethyl)-2-propenalyl-1,2,3,4-tetrahydrocarboline (Ⅲ) no NOE correlation between 5'-H and 4'-H was observed, which means that the substituent propenalyl on 2 position takes E Configuration. In 2-hydroxy-1, 2, 6, 7, 12, 12b hexahydroindolo[2, 3-a]quinolizine-1-aldehyde (Ⅴ) NOE correlation occurs between 1-CHO and 2-H,indicating that 1-H and 2-OH take the same orientation. The compound IV, 6,7,12, 12b-tetrshydroindolo[2,3-a] quinolisine-1-aldehyde can be obtained from the isomer of V, in which the 1-H and 2-OH take trans orientation only. For 1-(2,2-dimethoxyethyl)-2-(Boc-L-Ala)-1,2,3,4-tetrahydrocarboline (Ⅱ), the two isomers Ⅱ_a and Ⅱ_b have the same NOE correlations between 1-H and 3-H, 2'-H, 3'-H,5'-CH₃. Their configurations were determined based on the chemical shifts of 1-H.

¹H NMR spectra of single optal of potassium pentaborate tetrahydrate(KB₅) have ben obtained at RT with different orientations with respect to the external magnetic field.It was found that there were at most 6 peaks in a ¹H NMR spectrum when the external magnetic field was in its be plane, and 5 peaks in ah and ac planes. Combined with the computer calculations of NMR spectrum, the results indicate that the hydrogen atoms in KB₅ are in the form of hydroxyl and water groups. The O-H distances in the hydroxyl groups are 0.1005±0.001 nm and 0.1054±0.001 nm. The O-H distances in the water groups are 0.0983±0.001nm and 0.0968±0.0001nm with H-O-H angle of 108±1°.These show that the proton position data obtained by X-ray diffraction are far from our values,and the data by neutron diffraction are more close to our values.

This paper cited ³¹P NMR chemical shifts of some pentacoordinated phosphorus compounds, and demonstrated that there are some relations between ³¹P chemical shifts and chemical structure. The relations are discussed qualitatively, and seem to be dependent on ring strain and π-bond.

Polyvinyl alcohol amidoxime chelate fiber is a good adsorbent. Comparing with other adsorbents, it has many advantages, such as higher hydrophilicity, better adsorbability and caster synthesis course. In this paper, we attempt to study its adsorption dynamics by ESR quantitative method and obtained good results.

The ¹³C NMR spectra of fourteen new triphenyltin phenyloxyacetates were recorded. The chemical shifts of various carbon resonances have been assigned on the basis of calculation and comparison with the chemical shifts of the model compounds.The data of the effect of substituent ofon the ¹³C chemical shifts in henzene ring were obtained for the first time:C_ipso=30.2,C_ortho=-13.5,C_meta=1.0,C_para=-7.5.

Two programs COMP and DRAW designed by ourself were described in this paper. Program COMP can be used to quantatively compare a group of the three dimensional structures of protein. Program DRAW is employed to show the stcreoviewe in the three dimensional coordinate spaces for protein structures.