The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the ...The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the corresponding isomerization products are 1-buten-2-ol, 2-buten-2-ol, butanal or 1-buten-l-ol, methyl 1-propenyl ether, methyl allyl ether, and ethyl vinyl ether, respectively. Among them, there are three pathways through butylene oxide, indicating butylene oxide is an important intermediate product during butanone isomer ization. The calculated vertical ionization energies of the reactant and its products are in a good agreement with the experimental values available. From the consideration for the relative energies Of transition states and the number of high-energy barriers we infer that the reaction pathway butanone-＊l-buten-2-ol---2-buten-2-oi is the most competitive. The obtained results are informative for future studies on isomerization of ketone molecules.展开更多
It is first revealed by thermodesorption spectroscopy that when bismuth atoms diffuse the indium atoms through an intermediate graphite layer, they show certain characteristic features. In the Ir (111)-C system at 140...It is first revealed by thermodesorption spectroscopy that when bismuth atoms diffuse the indium atoms through an intermediate graphite layer, they show certain characteristic features. In the Ir (111)-C system at 1400 K δ = 0.4 ± 0.05 and diffusion δ<sub>Bi</sub> = N<sub>dif</sub>/N = 2.5 × 10<sup>-3</sup> bismuth atoms in the Ir(111)-C system. The amount of intercalated and diffused bismuth depends on the electrical field, i.e., on the positive potential in the Ir(111)-C system. It has been noted that a considerable diffusion of bismuth into iridium started at 180 V and increased up to 3000 V. The activation energies for bismuth diffusion into and from iridium were calculated to be E<sub>n1</sub> = 6.05 ± 0.05 eV and E<sub>1n</sub> = 6.3 ± 0.1 eV, respectively.展开更多
Objective To identify serum diagnosis or progression biomarkers in patients with lung cancer using protein chip profiling analysis. Method Profiling analysis was performed on 450 sera collected from 213 patients with ...Objective To identify serum diagnosis or progression biomarkers in patients with lung cancer using protein chip profiling analysis. Method Profiling analysis was performed on 450 sera collected from 213 patients with lung cancer, 19 with pneumonia, 16 with pulmonary tuberculosis, 65 with laryngeal carcinoma, 55 with laryngopharyngeal carcinoma patients, and 82 normal individuals. A new strategy was developed to identify the biomarkers on chip by trypsin pre-digestion. Results Profiling analysis demonstrated that an 11.6kDa protein was significandy elevated in lung cancer patients, compared with the control groups （P〈0.001）. The level and percentage of 11.6kDa protein progressively increased with the clinical stages Ⅰ-Ⅳ and were also higher in patients with squamous cell carcinoma than in other subtypes. This biomarker could be decreased after operation or chemotherapy. On the other hand, 11.6kDa protein was also increased in 50% benign diseases of lung and 13% of other cancer controls. After trypsin pre-digestion, a set of new peptide biomarkers was noticed to appear only in the samples containing a 11.6kDa peak. Further identification showed that 2177Da was a fragment of serum amyloid A （SAA, MW 11.6kDa）. Two of the new peaks, 1550Da and 1611Da, were defined from the same protein by database searching. This result was further confirmed by partial purification of 11.6kDa protein and MS analysis. Conclusion SAA is a useful biomarker to monitor the progression of lung cancer and can directly identify some biomarkers on chip.展开更多
Aim： To identify proteins induced by androgen in Sertoli cells during spermatogenesis. Methods： We analyzed protein profiles in TM4 Sertoli cells treated with dihydrotestosterone （DHT） using surface enhanced laser...Aim： To identify proteins induced by androgen in Sertoli cells during spermatogenesis. Methods： We analyzed protein profiles in TM4 Sertoli cells treated with dihydrotestosterone （DHT） using surface enhanced laser desorption ionization time-of-flight mass spectrometry （SELDI-TOF-MS）. Results： We found increases in the expression of a 5.0-kDa protein at 15 min, an 11.3-kDa protein at 24 h and 4.3 kDa, 5.7 kDa, 5.8 kDa, 9.95 kDa and 9.98 kDa proteins at 48 h after the treatment. In contrast, the expression of 6.3 kDa and 8.6 kDa proteins decreased at 30 min, and 4.9 kDa, 5.0 kDa, 12.4 kDa and 19.8 kDa proteins at 48 h after the treatment. The ll.3-kDa protein was identified as macrophage migration inhibitory factor （MIF） known to having various functions. The 9.98-kDa protein was identified as calgizzarin related to calcium channels. The timing of their expression suggests that MIF and calgizzarin are involved in late regulation of spermatogenesis in Sertoli cells by androgen. Conclusion： MIF and calgizzarin are two important androgen-responsive proteins produced by Sertoli cells and they might play a role in regulating spermatogenesis.展开更多
Objective： To search the specific serum proteins in tumor-like polypoid lesions of the gallbladder（PLG） patients. Methods： Surface enhanced laser desorption/ionization time of flight mass spectrometry （SELDI-TOF...Objective： To search the specific serum proteins in tumor-like polypoid lesions of the gallbladder（PLG） patients. Methods： Surface enhanced laser desorption/ionization time of flight mass spectrometry （SELDI-TOF-MS） technique and WCX Magnetic Beads were used to detect the serum proteomic fingerprint of 23 patients with tumor-like PLG, 21 patients with non tumor-like PLG and 26 normal persons. Biomarker Wizard and Biomarker Patterns Software were used in combination to analyze the data. Results： In the preliminary screening, 22 representative specific proteins for tumor-like PLG were found. Seven specific proteins showed increased expression and 15 specific proteins showed decreased expression in the tumor-like PLG patients. Three specific proteins are selected for the diagnosis of the tumor-like PLG.. Conclusion： SELDI-TOF-MS technique can be used to select specific proteins for tumor-like PLG patients, which may be useful for the diagnosis of the tumor-like PLG and the differential diagnosis with the non tumor-like PLG.展开更多
Objective： To investigate the difference of proteome between yeast form and mould form of Penicillium mameffei, and to investigate the association of specific proteins expressed with biochemical properties, susceptib...Objective： To investigate the difference of proteome between yeast form and mould form of Penicillium mameffei, and to investigate the association of specific proteins expressed with biochemical properties, susceptibility of antifungal agent with dimorphic growth. Methods： Biochemistry identity plates were used to test the assimilation of carbohydrates and E-test strips were used to detect the minimum inhibitory concentration （MIC） of mould form and yeast form 16 P. mameffei. Surface enhanced laser desorption/ionization （SELDI） mass spectrometry with ProteinChip WCX2 was performed to compare the expressed proteins in yeast form and mould form. Protein profiles were read by PBSⅡ proteinchip reader and the proteome database was analyzed by proteincbip software 3.2.0. Results： Mould form assimilated lactose, melibiose significantly stronger （ P 〈0.01）, while yeast form assimilated sorbinose significantly stronger （ P 〈 0.05）. The mean MIC of fluconazole against mould form increased significantly （ P 〈 0.01 ） compared with yeast form. Seventy-five distinct proteins were found in yeast form and mould form of P. mameffei, in which proteins of 2900Da and 3151Da were specifically expressed in yeast form and other two proteins of 13151Da and 13285Da were specifically expressed in mould form （ P 〈 0.01 ）. Conclusion： The assimilation of carbohydrates and drug susceptibility of P. mameffei may change partly due to the morphogenetic conversion and different texture. Specific proteins may he involved in the regulation, the change of biochemical reaction and drug susceptibility during dimorpbic growth.展开更多
文摘The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the corresponding isomerization products are 1-buten-2-ol, 2-buten-2-ol, butanal or 1-buten-l-ol, methyl 1-propenyl ether, methyl allyl ether, and ethyl vinyl ether, respectively. Among them, there are three pathways through butylene oxide, indicating butylene oxide is an important intermediate product during butanone isomer ization. The calculated vertical ionization energies of the reactant and its products are in a good agreement with the experimental values available. From the consideration for the relative energies Of transition states and the number of high-energy barriers we infer that the reaction pathway butanone-＊l-buten-2-ol---2-buten-2-oi is the most competitive. The obtained results are informative for future studies on isomerization of ketone molecules.
文摘It is first revealed by thermodesorption spectroscopy that when bismuth atoms diffuse the indium atoms through an intermediate graphite layer, they show certain characteristic features. In the Ir (111)-C system at 1400 K δ = 0.4 ± 0.05 and diffusion δ<sub>Bi</sub> = N<sub>dif</sub>/N = 2.5 × 10<sup>-3</sup> bismuth atoms in the Ir(111)-C system. The amount of intercalated and diffused bismuth depends on the electrical field, i.e., on the positive potential in the Ir(111)-C system. It has been noted that a considerable diffusion of bismuth into iridium started at 180 V and increased up to 3000 V. The activation energies for bismuth diffusion into and from iridium were calculated to be E<sub>n1</sub> = 6.05 ± 0.05 eV and E<sub>1n</sub> = 6.3 ± 0.1 eV, respectively.
基金This work was supported by the National Natural Science Foundation of China (Grant No.30370712)Beijing Key Project (Grant No. 7051002)+1 种基金 Beijing Science Technology Committee Project (No.Y0204002040111)a grant of Majon State Basic Research Program of China (No. 2006CB 910100).
文摘Objective To identify serum diagnosis or progression biomarkers in patients with lung cancer using protein chip profiling analysis. Method Profiling analysis was performed on 450 sera collected from 213 patients with lung cancer, 19 with pneumonia, 16 with pulmonary tuberculosis, 65 with laryngeal carcinoma, 55 with laryngopharyngeal carcinoma patients, and 82 normal individuals. A new strategy was developed to identify the biomarkers on chip by trypsin pre-digestion. Results Profiling analysis demonstrated that an 11.6kDa protein was significandy elevated in lung cancer patients, compared with the control groups （P〈0.001）. The level and percentage of 11.6kDa protein progressively increased with the clinical stages Ⅰ-Ⅳ and were also higher in patients with squamous cell carcinoma than in other subtypes. This biomarker could be decreased after operation or chemotherapy. On the other hand, 11.6kDa protein was also increased in 50% benign diseases of lung and 13% of other cancer controls. After trypsin pre-digestion, a set of new peptide biomarkers was noticed to appear only in the samples containing a 11.6kDa peak. Further identification showed that 2177Da was a fragment of serum amyloid A （SAA, MW 11.6kDa）. Two of the new peaks, 1550Da and 1611Da, were defined from the same protein by database searching. This result was further confirmed by partial purification of 11.6kDa protein and MS analysis. Conclusion SAA is a useful biomarker to monitor the progression of lung cancer and can directly identify some biomarkers on chip.
文摘Aim： To identify proteins induced by androgen in Sertoli cells during spermatogenesis. Methods： We analyzed protein profiles in TM4 Sertoli cells treated with dihydrotestosterone （DHT） using surface enhanced laser desorption ionization time-of-flight mass spectrometry （SELDI-TOF-MS）. Results： We found increases in the expression of a 5.0-kDa protein at 15 min, an 11.3-kDa protein at 24 h and 4.3 kDa, 5.7 kDa, 5.8 kDa, 9.95 kDa and 9.98 kDa proteins at 48 h after the treatment. In contrast, the expression of 6.3 kDa and 8.6 kDa proteins decreased at 30 min, and 4.9 kDa, 5.0 kDa, 12.4 kDa and 19.8 kDa proteins at 48 h after the treatment. The ll.3-kDa protein was identified as macrophage migration inhibitory factor （MIF） known to having various functions. The 9.98-kDa protein was identified as calgizzarin related to calcium channels. The timing of their expression suggests that MIF and calgizzarin are involved in late regulation of spermatogenesis in Sertoli cells by androgen. Conclusion： MIF and calgizzarin are two important androgen-responsive proteins produced by Sertoli cells and they might play a role in regulating spermatogenesis.
基金supported by the Scientific Research Foundation of the High School from Education Department of Liaoning Province(No.20060923).
文摘Objective： To search the specific serum proteins in tumor-like polypoid lesions of the gallbladder（PLG） patients. Methods： Surface enhanced laser desorption/ionization time of flight mass spectrometry （SELDI-TOF-MS） technique and WCX Magnetic Beads were used to detect the serum proteomic fingerprint of 23 patients with tumor-like PLG, 21 patients with non tumor-like PLG and 26 normal persons. Biomarker Wizard and Biomarker Patterns Software were used in combination to analyze the data. Results： In the preliminary screening, 22 representative specific proteins for tumor-like PLG were found. Seven specific proteins showed increased expression and 15 specific proteins showed decreased expression in the tumor-like PLG patients. Three specific proteins are selected for the diagnosis of the tumor-like PLG.. Conclusion： SELDI-TOF-MS technique can be used to select specific proteins for tumor-like PLG patients, which may be useful for the diagnosis of the tumor-like PLG and the differential diagnosis with the non tumor-like PLG.
文摘Objective： To investigate the difference of proteome between yeast form and mould form of Penicillium mameffei, and to investigate the association of specific proteins expressed with biochemical properties, susceptibility of antifungal agent with dimorphic growth. Methods： Biochemistry identity plates were used to test the assimilation of carbohydrates and E-test strips were used to detect the minimum inhibitory concentration （MIC） of mould form and yeast form 16 P. mameffei. Surface enhanced laser desorption/ionization （SELDI） mass spectrometry with ProteinChip WCX2 was performed to compare the expressed proteins in yeast form and mould form. Protein profiles were read by PBSⅡ proteinchip reader and the proteome database was analyzed by proteincbip software 3.2.0. Results： Mould form assimilated lactose, melibiose significantly stronger （ P 〈0.01）, while yeast form assimilated sorbinose significantly stronger （ P 〈 0.05）. The mean MIC of fluconazole against mould form increased significantly （ P 〈 0.01 ） compared with yeast form. Seventy-five distinct proteins were found in yeast form and mould form of P. mameffei, in which proteins of 2900Da and 3151Da were specifically expressed in yeast form and other two proteins of 13151Da and 13285Da were specifically expressed in mould form （ P 〈 0.01 ）. Conclusion： The assimilation of carbohydrates and drug susceptibility of P. mameffei may change partly due to the morphogenetic conversion and different texture. Specific proteins may he involved in the regulation, the change of biochemical reaction and drug susceptibility during dimorpbic growth.
