¹H spin system simulations of 2D-COSY spectrum of amino acid residues in insulin analogs were reported by using MARS program. From the comparison of the simulation spectra with the observed 2D-COSY spectra of Dcs-(B₂₆-B₃₀)-insulin and S-sulfonated insulin A and B chains, the cross peak patterns and fine structrues of simulated and obverved spectra were quite similar, indicating that the ¹H spin system identifications of residues from the observed 2D spectra arc correct, and on the other hand, the program MARS can be extensively used for the simulations of 2D-spectra of proteins.

Various NMR spectra (including NOE, SD, BB, INEPT, SR, COSY, and NOESY etc.) were used in the study and identification of the chemical structure of a new glycyrrizic triterpenoid lactone which was extracted from Glycyrrhiza uralensis Fisch collected in Inner Mongolia. This new component was named Glyuranolide (3,22-dihydroxy-11-oxo-12-oleanene-14-methoxycarbonyl-29-dioic acid-22-lactone).

Under the condition of finite pulse width, using a vector model and computer simulation, the present paper proposed a composite 180° pulse:45°_x 112. 5°_y 45°_x, for uniform population inversion in the central transition of spin-3/2 nuclear systems. And the performance of population inversion of the composite 180° pulse was obtained by numerical calculation and confirmed by experimental results of ²³Na NMR spectra in Na₂SO₄ powder sample.

This article studies the mechanism of the adsorption of metallo-porphyrin on the surface of HDS catalysts. The model compound used, metallo-porphyrin, is VO-TPP and the HDS catalysis used are Co-Mo-Al₂O₃ systems.
When VO-TPP is adsorbed on the surface of the catalysts, the central ion VO²⁺ has two different orientations to the surface, and will lead to two kinds of adsorptions:center 1 and center 2.
In most cases only center 1 can occur because of the adsorption of eletron donor (H₂O, OH^-, etc.) on the cational spots of the surface. When the catalysts are calcined the adsorbed electron donor will be desorbed, and when the calcined catalysts are used to adsorb VO-TPP center 2 will occur.
The interaction in center 2 between VO-TPP and the catalysts' surface is much stronger than in center 1. But center 2 is less stable than center 1 when the adsorbed sample is exposed to air. It turns into center 1 in air.

Morphology of crystalline polyethylene (PE) irradiated under ⁶⁰Co γ-ray has been investigated by the high-resolution solid-state ¹³C NMR. It is revealed that crystalline phases with lamella, rubbery amorphous phase and their interphase in PE behaved differently to the radiation in the dose range of 75-520 Mrad. The relexation parameters of T_2C and line width were determined for different phases. Their relationship with the radiation is discussed. The phenomena of cross-linking, damage, phase transition and transition of crystal mode in different phases of PE after radiation has been observed, which offer a new proof about mechanism and effect of radiation on PE by the ¹³C NMR.

4(π/2) pulse sequence of spinning sideband supprcsion for spin-1 nucleus is discussed, based on the rotation characteristics in the spin space of the system.4(π/2)-4π sequence, which is suitable for high resolution spectra of chemical shift in the solid state system, is also presented with experimental evidence.

A ¹³C NMR study of a series of low molecular weight polyesters derived from ethylene glycol, diethylene glycol, 1, 4-butanediol.adipic acid and phthalic acid is reported.¹³C resonances in the five samples were assigned by model compound study, empirical rules and experimental methods. The spin-lattice relaxation time (T₁) range and nuclear overhauser enhancement(NOE) factor were measured with PRFT and inverse gated decoupling technology. Based on this information, the optimal quantitative measurement conditions were selected and the number-average molecular weight for each sample was obtained. The results are in agreement with those from terminal group analysis. It was shown that ¹³C NMR is not only suitable for structure determination, but also suitable for quantitative measurement under certain condition.

In hydrochloric acid, the dimolybdenum (V)-cysteine complexes, Na₂Mo₂O₂ (μ₂-X)(μ₂-Y)(cysteine)₂,(X=Y=oxygen(Ⅰ);X=oxygen,Y=sulfur(Ⅱ), give an ESR signal at 1.947, the strength of the signal increases with the enhancement of the concentration of hydrochloric acid. The complex (Ⅲ), Na₂Mo₂O₂ (μ₂-S)₂(cysteine)₂, gives an analogous signal only in concentrated acid. By comparing the data of magnetic susceptibility and electron spectrum, the dissociation mechanism of the complexes in hydrochloric acid is assumed and the chemical stability of the complexes affected by bridged atoms is also discussed.

An approximation approach for evaluating rate constants from a single 2D exchange spectrum is proposed, based on theoretical analysis of the amplitude of 2D peaks. For sufficiently short mixing time τ_m, the magnetization transfer can be seen as single-direction-transfer from the diagonal peak to cross peak(s). The expressions of the amplitude as a function of τ_m are presented. The results are in agreement with that of Ernst theory within the first order approximation, but differs a little bit in the second order approximation. However, the problem has been much simplified, and the results coincide with the recently obtained ¹¹⁹Sn 2D exchange spectrum of SnCl₆^2- hydrolyzing system quite well. Thus the exchange rate constants for this system are evaluated directly by the simple method.

On the basis of crystal field theory, the d-d transitions, g-factors and zero-field splitting of Cu²⁺-Cu²⁺ pairs in (φ₄As) CuCl₃ crystal have been obtained with considering the interaction between Cu²⁺-Cu²⁺ ions. The calculated results are in agreement with the experimental.

The Voigt Effect-a transverse magneto-optic rotation effect was used in laser magnetic resonance for improvement of the signal to noise ratio. Both theoretical analysis and the experimental results are given in this paper. The results show that this method can also be conveniently used to detect the σ and π transitions separately.

ESR method has been used to study the active center states of high yield MgCl₂-n-BuOH-i-Bu₃Al-TiCl₄ catalyst for ethylene and propylene copolymerization. It has been shown that two kinds of coordination states with one and two vacant sites would exist in the alkylated Ti³⁺ ions. The variation of ESR spectra of the catalysts in the presence of ethylene or ethylene and propylene mixture gases show that the ESR signals with g=1.954 and g=1.941 were associated with active centers of Ti³⁺. Combining with the ¹³C NMR studies on the composition of copolymerization products and the reactivity ratios, a mechanism for ethylene and propylene simultaneous coordination with active centers of Ti³⁺ in the catalyst has been proposed.

By using lanthanide couple with different signs of spin expectation value z> or magnetic constant D as shift reagent, the contact shift or the dipolar shift could be canceled out and the experimentally observed NMR paramagnetic shift would contain only one of the components. The treatment assumes that the coordinating process of the substrate of lanthanide ion is in the fast exchange equilibrium and the substrate-lanthanide complex is of effective axial symmetry. The lanthanide couple technique provides an easy method to separate the individual components of lanthanide-induced shift (LIS) and to testify the validity of separation by other methods. The feasibility of this method is confirmed by application to L-ascorbic acid for the analysis of ¹³C LIS.

Cr exchanged mordenitc displayed a new isotropic EPR signal after strong reduction in hydrogen atmosphere, with g=2.003 and △H_PP=13. 4 gauss. The EHMO calculations were performed for several models and the results support the assertion that the new signal is responsible for a Cr (V) complex formed with hydrogen molecules.

The ¹³C and ¹¹⁹Sn NMR spectra of CDCl₃ solutions of aliphatic and aromatic tricyclohexyltin (IV) carboxylates have been recorded. The chemical shifts (δ¹¹⁹Sn) and the coupling constants ¹J (¹³C, ¹¹⁹Sn) depend markedly on the coordination number of the tin atom. The chemical shifts and coupling constants ¹J (¹³C,¹¹⁹Sn) for aliphatic tricyclohexyltin (IV) carboxylates are in the range 6-11 ppm and 341-345 Hz, for aromatic tricyclohexyltin (IV) carboxylates are in the range 10 to 40 ppm and 310-340Hz, which provide evidence that the compounds are monomeric species in the solutions irrespective of their structure in the solid state.

The maximum overlap method was used to study the relationship between the spectral properties and molecular structure in the halomethanes. Based on the theoretical analysis and comparative studies, the excellent linear relationship between the s-character of carbon in carbon-hydrogen bond and the NMR spin-spin coupling constants, nuclear quadrupole coupling constants were obtained. The results are in good agreement with the experimental values.

Temperature-dependent ¹¹B NMR technics have been employed to determine the boron coordination in sodium borate glasses at room temperature and 300℃.The results show that, as R>0.5, the fraction of borons in 4-coordinated will decrease as temperature increases. These resuhs mean that it is possible for glass structure changes as temperature is below the transitional temperature.

The multi-pulse sequences for suppression of spurious signal in ⁹⁵Mo-NMR were studied. The limits of their applications were discussed. The method can be used in the measurements of other nuclei as well.

An easily realized proton lock, which can be used for the NMR experiments of lower frequencies (cg.deuterium spectra) on the electrical magnet NMR spectrometers without fluorine lock, is introduced.

A suggestion of combined filter method is introduced in this paper. This technique was applied for pulse suppressing strong solvent signal. The expanding application and enhancing detected effect of pulse suppressing strong solvent signal can be achieved aftet this. Four reasonable pulse sequences of combined filter method were designed. An explanation and experimental result for the combination of WEFT and 1-3-3-1 is shown.