¹³C NMR spectra of 10 prenoid-subtituted flavonoids, which were obtained from the faultly Berberidaceae have been studied by means of 2D NMR (¹H-¹H COSY, ¹H-¹³C COSY and HMBC) technique on the basis of key compound. The discussion is mainly focused on the linkage between the isoprenoid-substitucnts with flavonoids skeletons and the relation between the chemical shifts and mode of isoprenoid-substituents at C-8 and C-5' positions. The result can be used to elucidate the structure of isoprenoid-substituted flavonoids.

The ⁹⁵Mo NMR chemical shifts of 12 carbonylmolybdenum compounds have been determined. The influential factors on ⁹⁵Mo chemical shifts such as the oxidation state of molybdenum atom,interactions between homometals, and between heterometals, and ligand substitution etc. have been discussed briefly.

A detailed study of the microstructure of methyl methacrylate (MMA) and butyl acrylate (BA) copolymer prepared by group transfer polymerization (GTP) was carried out by using ¹³C NMR spectroscopy. Methyl methacrylate and butyl acrylate centred triad molar fraction were determined from the quaternary carbon and carbonyl group resonance signals. The experimental sequence concentrations were in agreement with the values calculated from the terminal copolymerization model and Bernoullian statistics. A greater block tendency Of BA monomers may be noticed in both experimental and calculated distribution, which is due to the large difference between the reactivity ratios of MMA and BA in group transfer copolymerization.

Compound Ⅷ was isolated from Lonicera bournei Hemsl and identified to be chlorogenic ethyl ester which was reported to be an auxin-active substance. All the proton and carbon signals were assigned definitely by means of NMR techniques and some assignment errors in literature on this compound were corrected.

The ESR spectrum characteristic of imidazoline nitroxide radicals as pH spin probes were studied.A detailed investigation of the geometrical structure, electronic structure and spin density distribution of pH spin probes was made with AM1 quantum chemistry calculations. The a_N of pH spin probes was calculated, it is consistent with the experimental value within the experimental errors. The relationship curve of pk_a. with electron density was obtained. The application of imidazoline nitroxide radicals as the pH probe in examining the PH of the organism was also discussed.

Systematic studies were made on the ¹³C NMR and its regularity of chemical shift sum (CSS).In this paper, a set of novel molecular graph theoretical parameters, called the distance-edge vector (λ), was developed and found to be excellently correlated to ¹³C NMR CSS of alkanes. The modified backpropagation (MBP) naural networks were also applied to estimate and predict, the ressults satisfactoryly.

Reaction between isoprene and NO_x has been studied by Laser Magnetic Resonance. Through the determination of NO signals in ultra-violet light and spark discharge respectively, reaction between isoprene and NO/NO₂ has been observed, which was of great importance for understanding atmospheric chemical reaction and photochemical smog.

By employing the ah initio gauge invariant atomic orbital (GIAO) approach, the influence of hydrogen bonding on the ¹³C chemical shift tensor in solid tyrosine was studied. Comparisons of the values of the present paper with those previously calculated and with the experimental results were made. The root-mean-square (rms) error found by comparing the predicted (without hydrogen bonding interaction) and the observed prindpal component for the carboxyl carbon of tyrosine was 33.4ppm; whereas when the hydrogen bonding interaction was introduced, the relevant rms error would be reduced to 23ppm. This dearly highlihts the importance of considering the hydrogen bonding interaction in the study of the ¹³C chemical shieldings for the carboxyl carbons, espedally for the δ₂₂ component, the results presented in this paper also agreed with the observed results of McDermott et al.

The chemical structure of dihydrobenzofuran lignans Balanophonin(1) was studied by 2D NMR spectra analyses. It was observed that the attached position of methoxyl and hydroxyl groups in A ring can be determined by analysing the cross peaks in COLOC spectrum. Meanwhile, the speciality of PMR spectra (in DMSO-d₆) of this kind of compounds was studied. All the proton signals of Balanophonin (1) were assigned in detail also.

In the design of indoloquinolizidone anticancers N-butoxycarbonylglycine, monobenzyl ester of Nbutoxycarbonyl-L-asparagic acid, N-butoxycarbonyl-L-glutamine and glycine were introduced into the 6-position of the indoloquinolizidone respectively based on the antimetabolic theory. In the present paper the ¹H NMR data and conformation analysis are reported.

The variation in ¹H NMR spectra of o-phenanthroline and its derivatives during coordination with d¹⁰ configuration metal ions Zn²⁺, Cd²⁺, Hg²⁺ has been studied. The sort of the complex ions in the system has been discussed and the scale of stability of coordination bond has been gived. An experimental method of studying the complexes in solution with central ions of d¹⁰ configuration is advanced.

Nanometer-sized manganic oxide(Mn₂O₃) has been prepared for the first time by a chemical liquid homogeneous precipitation (CLHP) method. Transmission electron micrographs and X-ray powder diffraction patterns show that the average particle sizes are in the range of 9-50nm. From the Electron Spin Resonance(ESR) patterns of 9nm manganic oxide particle, we can observe hyperfine structure:Six absorption peaks of ESR signal.

An algorithm for analyzing EPR spectra of solution free radical by use of combining the nonlinear least-squares method with the Monte-Carlo method based on the unconstrained optimization theory is described. This program can fit the experimental EPR spectra data automatically. The EPR spectral parameters, including Lorentzian and Gaussian components to the lineshape, peak height, linewidth,resonance position, and hyperfine couple constant could be extracted from experimental spcctra rapidly with a good accuracy (≤ 5% for the peak height and linewidth, and ≌ 0.002% for the resonance position). The program based on this algorithm has been applied to an EPR data system developed by ourselves which was built on a PC microcomputer system and yield good results.

Due to the complexity of the line shape features arised from the two-dimensional Fourier transformation, severe distortions occur when spectral overlapping happens. This is demonstrated and discussed with computer simulations in the present article.