The complex Pd(PPh₃)₂Cl₂?CCl₄ has been prepared by treatment of Pd(OAc)₂ with PPh₃ in CCl₄. ¹H NMR, ³¹P NMR, data are given. The molecular structure of Pd(PPh₃)₂Cl₂ has been determined by single crystal X-rays diffraction. The reaction mechanism is tentatively proposed and discussed. Radicals were trapped by PBN. This reaction was proved to be a free radical reaction by EPR-ST method. The solvent CCl₄ participated in the reaction.

In this work, d-d transition spectra and paramagnetic g factor of ZnS:Co²⁺ are uniformly explained by fitting average covalent reduction factor N and the electric dipole moment of the ligand μ on the basis of Zhao's double zeta-d wave function. The calculated values of g factor 2.248 (perturbation) and 2.235 (CDP) agree well with experiment datum 2.248. Some controversial issues, such as orbital model, perturbation method, parameter fitting, double spin-obit coupling and Jahn-Teller effect, are well explained.

The spin label ESR was used to study the chain motion in the PEG/PVP blends under different temperatures. In the ESR spectrum, there were two components in the PEG/PVP blends, indicating the different environments in the blends, while there was only slow component in the low temperature and only fast component in high temperature in SLPEG. With the ESR spectrum parameter, the calculated correlation time of the fast component of the samples was between 10^-9～10^-11s and T_5mT of all samples was obtained from the out splitting width. The results for the T_5mT and the correlation time showed that there was interaction between different polymer chains in the blends.

The preparation of binary and ternary solid complexes of lanthanide ions with tripodal ligand N,N-bis(2-benzimidazolylmethyl)-N-(2-pyridylmethyl)amine

(L) and antipyrine (L′) is reported in this article. The coordination forms of the complexes in various solutions were studied by ¹H NMR, supported by the si

ngle crystal x-ray diffraction and IR data, as well as the ab initio calculation. In CH₃CN solution, L coordinates to the metal atoms with four nitrogen atoms, while L′ with its carbonyl oxygen only. The coordination numbers of the binary and ternary complexes were 10 and 7 respectively. In the ternary complexes,

anions and solvent molecules could not enter the coordination sphere due to the steric effect of three big L′molecules. The complexes dissociate in the strongly polar DMSO solution.

Amino acids are the primary units of proteins. In this paper, solid complex of tryptophan with rare-earth element Eu(Ⅲ) was prepared by coprecipitation me

thod. The complex was characterized by fluorescence, IR, Thermogram, scanning electron microscope. Furthermore, the complexing mechanism and complexing site were studied by ¹H NMR and ¹³C NMR.

To investigate the feasibility of serum ³¹P NMRS in the study phospholipid metabolites and diagnosis of leukaemia. Method: Serum sample of leukaem

ia patients and healthy controls were collected and measured by ³¹P NMRS with MSL-300MHz spectrometer. The phospholipid contents were known by contraxt relatively integral area of PC signal and (PE+SM) signal. Results: In spectra of serum of leukaemia patients, the phospholipid signal intensities were significantly decreases. It reflected lower phosphatidylcholine and phosphatidylcholine and sphingomyelin content in serum of leukemia patients, especially for original untreatment patient. Conclusions: These results suggest that serum ³¹P NMRS may likely become a promising new method for the study of phospholipid changes or metabolites and identifying the presence of leukaemia.

In this paper, the atomic equilibrium electronegativity in a molecule has been defined and the model of ¹³C NMR chemical shifts of alkanes has been studied with the atomic equilibrium electronegativity and the structural information parameters Nⁱ_H(em=0, α, β, γ) and N^j_C(j=α, β, γ). The results indicate that the
¹³C NMR chemical shifts of alkanes can be described as follows:
CS=-1736.776+755.118AEE+5.2539N⁰_H+1.8837N^β_H-0.2066N^γH
By the use of the formula the chemical shifts of 99 carbon atoms are predicated, and the standard error is only 0.9861ppm. The average absolute error is 0.78ppm, The calculated values conform very much to the observed values.

Systematic studies were made on carbon-13 nuclear magnetic resonance(¹³C NMR) and its regularity of chemical shift sum(CSS).  In the present paper, a novel molecular distance-edgevector (VMDE) or ν vector expressed in the form of energy was developed and found to be correlated excellently with the chemical shift sum (CSS) for carbon-13 nuclear magnetic resonance (¹³C NMR).  The multiple linear regression (MLR) equation of molecular modelling was established by the molecular distance-edge vector together with the path count of three bonding segment (C-C-C). It gives very good results for the modelled estimation and prediction with cross validation(CV) of leave-one-out (LOO) procedure: CSS=bν+p₃=Σ^m_j=0b_jν_j+b₁₀p₃=b₀ν+b₁ν₁+b₂ν₂+b₃ν₃+b₄ν₄+b₅ν₅+b₆ν₆+b₇ν₇+b₈ν₈+b₉ν9_ν+b₁₀P₃ =-13.6011+22.2133 ν₁+28.4121 ν₂+25.9416 ν₃+26.6709 ν₄+14.4976 ν₅+5.7240 ν₆-5.3830 ν₇-3.2152 ν₈-15.0213 ν₉-25.7099 ν₁₀+12.2786P₃ (n=63, R=0.9970, EV=99.68%, RMS=3.7348, F=2418.2,  CV: R=0.9893, EV=98.83%, RMS=7.1261, F=664.046). A reliable correlation model has been developed by using the combination of MDE vector (ν vector) and molecular path counts of length three (P₃), as adjoin structural descriptors.

A new procedure for measuring the effective transverse relaxation time T^*₂ in the presence of radiation damping is proposed here. After the amplitude of the echo obtained by CPMG pulse sequence is largely decayed by the intrinsic T₂ relaxation process, its linewidth is no longer broadened by the radiation da

mping effect and thus a good measure of the true value of T^*₂ is possible. Accordingly, for the damped case, the T^*₂ and T₂ can in fact be simultaneously determined in a CPMG spin-echo experiment. In addition, when the saturation recovery experiment was utilized to measure T^*₂, the small-flip-angle pulse must be applied to detect the signals.

In this paper the interaction of tansinone Ⅱ-A with rare earth metal ions Eu³⁺、Tb³⁺ has been studied by several analytical techniques, including ¹H NMR T₁,  ¹H NMR and ¹³C NMR, ultraviolet spectra, and fluorescence spetra. The coordination mechanism of tansinone Ⅱ-A with rare earth metal ions has been

discussed. The experimental results showed that tansinone Ⅱ-A formed stable pentaatomic chelate ring with Eu³⁺、Tb³⁺.

This paper deals with the main spectroscopic features (IR,MS,¹H NMR,¹³C NMR, 2D NMR) of natural,9,19-Cyclolanstane triterpenic glycosides according

to various structural types. On the basis of systematic analysis of the spetroscopic characteristics due to various chemical environments, it proved possible to differentiate various structural types, as well as to decide the location and stereochemistry of some substituted groups. All these findings are helpful for st

ructural elucidation and assignments of the spectroscopic signals of such compounds.

Magnetic Resonance Imaging(MRI) of the brain is well-recognized for its excellent spatial resolution, allowing neuroantomic structures to be viewed in sharp detail. Recently, it has become possible to modify a conventional MRI scanner to study the brain's function as well. This new technique, called functional Magnetic Resonance Imaging (fMRI), has excited brain-researchers for its several good features. The most commonly used fMRI technique is BOLDfMRI (

Blood-Oxygen-Level-Dependent-fMRI). It is based on the principle that when abrain region is being used, arterial oxygenated blood will redistribute and increase to this area. Perfusion fMRI which can measure absolute regional blood flow has some limitations in that it takes several minutes to acquire information on a single slice of interest. It would be tedious obtainto enough images on this slice within a single session to make a statistical statement on a given subject. Diffusion-weight Imaging is used to diagnosis the early post-storke and to detecte the direction of myelin fibers tracts. MRI spectroscopy, an old fMRI technique, offers the capability of using MRI to noninvasively study tissue biochemistry which can determine the level of substance or energy metabolism. These techniques have been used widespreadly in neurology and neurosurgery. While there are currently no clinical indications for ordering any of these fMRI techniques, they hold considerable promise for unraveling the neurocircuitry and metabolic pathways of psychiatric disorders in the immediate future and in helping in psychiatric diagnosis and treatment planning down the road.