Biomedical subjects

Zhijun Wu

Publications and source records attributed to Zhijun Wu.

6 recordsLinked to original sources

PubMed2006

PIDD: database for Protein Inter-atomic Distance Distributions.

Protein Inter-atomic Distance Distributions (PIDD) is a dedicated database and structural bio-informatics system for distance based protein modeling. The database is developed to host and analyze the statistical data for protein inter-atomic distances based on their distributions in databases of known protein structures such as in the Protein Data Bank (PDB). PIDD is capable of generating, caching, and displaying the statistical distributions of the distances of various types and ranges. The collected information can be used to extract geometric restraints or mean-force potentials for protein structure determination including nuclear magnetic resonance structure determination and comparative model refinement. PIDD is supported with a friendly designed web interface so that users can easily specify the distance types and ranges, and retrieve, visualize or download the distributions of the distances as they desire. PIDD is freely accessible at http://www.math.iastate.edu/pidd.

Databases, Protein↗

PubMed2006

Steryl esters and phenylethanol esters from Syringa komarowii.

Three new steryl esters and a new phenylethanol ester, together with 22 known compounds were isolated from the aqueous ethanolic extract of the whole plants of Syringa komarowii. The new compounds were elucidated as stigmastane-3beta,6alpha-diol 3-O-tetradecanoate (1), stigmastane-3beta,6alpha-diol 3-O-palmitate (2), stigmastane-3beta,6alpha-diol 3-O-stearate (3), and 2-(4-hydroxyphenyl)-ethyl dotriacontanoate (4) on the basis of extensive spectral data and chemical evidences.

Esters↗

PubMed2006

ESI-QqTOF-MS/MS and APCI-IT-MS/MS analysis of steroid saponins from the rhizomes of Dioscorea panthaica.

Using high-resolution quadrupole time-of-flight mass spectrometry along with an electrospray ionization source (ESI-QqTOF-MS), accurate molecular weights of 13 steroid saponins extracted from the rhizomes of Dioscorea panthaica were acquired and the corresponding molecular formulae obtained. In order to elucidate the fragmentation pathways of steroid saponins in D. panthaica, 10 authentic samples were investigated using ESI-QqTOF-MS/MS. In addition, atmospheric pressure chemical ionization mass spectrometry combined with ion trap tandem mass spectrometry (APCI-IT-MS/MS) was used to analyze the structures of 13 steroid saponins in D. panthaica. Through the analysis of their tandem mass data, diagnostic fragment ions of the spirostanol and furostanol steroid saponins in D. panthaica were detected as m/z 271.2056 and 253.1951. In addition, four pairs of isomers were detected and the possible structures of four unknown steroid saponins in D. panthaica speculated. ESI-TOF and APCI-MS(n) have proved to be effective tools for research on fragmentation mechanism of steroid saponins and the rapid determination of native steroid saponins in extract mixture, thereby avoiding tedious derivation and separation steps.

Carbohydrate Sequence↗

PubMed2006

Differentiation of three pairs of aconite alkaloid isomers from Aconitum nagarum var. lasiandrum by electrospray ionization tandem mass spectrometry.

Three pairs of isomers of aconite alkaloids from Aconitum nagarum var. lasiandrum have been investigated by electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (MS/MS) employing ion-trap and quadrupole time-of-flight mass spectrometers in positive mode. Based on the differences of their fragmentation pathways and special fragment ions, three pairs of isomers of aconite alkaloids were differentiated. In addition, fragmentation laws of some veatchines and the discrepancy of fragmentation mechanisms between veatchine-type and aconitine-type alkaloid were also concluded. In the case of veatchines, a radical would be formed by homolysis of C18--C4 or C18--H bonds, followed by elimination of a series of C(2)H(2) and C(2)H(4). Moreover, the retro-Diels-Alder (RDA) reaction occurred in the E-ring and double-electron transfer triggered by the positive charge on C1 led to the formation of diagnostic ions at m/z 216. With regard to aconitine-type alkaloids, the N-substituent is not eliminated easily. Although there is no carbonyl group on some aconitine-type alkaloids, with hydroxyl and methoxyl on C15 and C16 respectively, CO was readily eliminated through tautomerization.

Aconitum↗

PubMed2005

Refinement of NMR-determined protein structures with database derived distance constraints.

The protein structures determined by NMR (Nuclear Magnetic Resonance Spectroscopy) are not as detailed and accurate as those by X-ray crystallography and are often underdetermined due to the inadequate distance data available from NMR experiments. The uses of NMR-determined structures in such important applications as homology modeling and rational drug design have thus been severely limited. Here we show that with the increasing numbers of high quality protein structures being determined, a computational approach to enhancing the accuracy of the NMR-determined structures becomes possible by deriving additional distance constraints from the distributions of the distances in databases of known protein structures. We show through a survey on 462 NMR structures that, in fact, many inter-atomic distances in these structures deviate considerably from their database distributions and based on the refinement results on 10 selected NMR structures that these structures can actually be improved significantly when a selected set of distances are constrained within their high probability ranges in their database distributions.

Algorithms↗

PubMed2005

[Treatment of femur intertrochanteric fractures with proximal femoral nail in the old].

OBJECTIVE: To investigate the effect of treatment with proximal femoral nail (PFN) on femur intertrochanteric fractures in the old. METHODS: A retrospective study of 62 patients with femur intertrochanteric fractures treated with PFN from October 2001 to September 2003 was carried out. The data of operative time, blood loss, intraoperative complications, wound drainage, postoperative complications, healing time, and hip function were recorded and compared with previous literature so as to evaluate the effect. RESULTS: All patients were followed up for 8-22 month (13.6 months on average). Intraoperative fracture occurred again in 2 cases. Two patients died of brain embolism and pulmonary infection respectively. Heterogeneous ossification occurred in 2 cases. Hip varus occurred in 1 case. Extra hip anteversion occurred in 1 case. The effect of other cases was satisfactory. The operative time was 76.5+/-29. 1 min, the mean blood loss was 385.7+/-98.4 ml, the wound drainage was 45.5+/-21.7 ml, and the healing time was 13.2+/-3.8 weeks. According to the Sanders post-trauma hip function assessing system, the excellent and good rate was 89.6%. CONCLUSION: The application of PFN is characterized by short operative time, less blood loss, stable fixation, so it is an effective way to treat femur intertrochanteric fracture in the old.

Aged↗