Two methods for vibration characteristic investigation of the counter-rotating dual-rotors in an aero-en- gine are put forward. The two methods use DAMP tool on the MSC. NASTRAN platform and develope the re- solving s...Two methods for vibration characteristic investigation of the counter-rotating dual-rotors in an aero-en- gine are put forward. The two methods use DAMP tool on the MSC. NASTRAN platform and develope the re- solving sequence. Vibration characteristics of a turbofan engine are analyzed by using the two methods. Com- pared with results calculated using transfer matrix method and test results, the two methods are valuable and have great potential in practical applications for vibration characteristic investigation of aero-engines with high thrust-weight ratio.展开更多
Deconlinement phase transition and neutrino trapping in (proto)neutron star matter are investigated in a chiral hadronic model (also referred to as the FST model) for the hadronic phase (HP) and in the color-fla...Deconlinement phase transition and neutrino trapping in (proto)neutron star matter are investigated in a chiral hadronic model (also referred to as the FST model) for the hadronic phase (HP) and in the color-flavor-locked (CFL) quark model for the deconlined quark phase. We include a perturbative QCD correction parameter αs in the CFL quark matter equation of states. It is shown that the CFL quark core with K^0 condensation forms in neutron star matter with the large value of αs. If the small value of αs is taken, hyperons suppress the CFL quark phase and the liP is dominant in the high-density region of (proto)neutron star matter. Neutrino trapping makes the fraction of the CFL quark matter decrease compared with those without neutrino trapping. Moreover, increasing the QCD correction parameter as or decreasing the bag constant B and the strange quark mass ms can make the fraction of the CFL quark matter increase, simultaneously, the fraction of neutrino in protoneutron star matter increases, too. The maximum masses and the corresponding radii of (proto)neutron stars are not sensitive to the QCD correction parameter αs.展开更多
As the major and abundant type of glucosinolates(GL)in plants,sinigrin has potential functions in promoting health and insect defense.The final step in the biosynthesis of sinigrin core structure is highly representat...As the major and abundant type of glucosinolates(GL)in plants,sinigrin has potential functions in promoting health and insect defense.The final step in the biosynthesis of sinigrin core structure is highly representative in GL compounds,which corresponds to the process from 3-methylthiopropyl ds-GL to 3-methylthiopropyl GL catalyzed by sulfotransferase(SOT).However,due to the lack of the crystallographic structure of SOT complexed with the 3-methylthiopropyl GL,little is known about this sulfonation process.Fortunately,the crystal structure of SOT 18 from Arabidopsis thaliana(At SOT18)containing the substance(sinigrin)similar to 3-methylthiopropyl GL has been determined.To understand the enzymatic mechanism,we employed molecular dynamics(MD)simulation and quantum mechanics combined with molecular mechanics(QM/MM)methods to study the conversion from ds-sinigrin to sinigrin catalyzed by AtSOT18.The calculated results demonstrate that the reaction occurs through a concerted dissociative mechanism.Moreover,Lys93,Thr96,Thr97,Tyr130,His155,and two enzyme peptide chains(Pro92-Lys93 and Gln95-Thr96-Thr97)play a role in positioning the substrates and promoting the catalytic reaction by stabilizing the transition state geometry.Particularly,His155 acts as a catalytic base while Lys93 acts as a catalytic acid in the reaction process.The presently proposed concerted dissociative mechanism explains the role of At SOT18 in sinigrin biosynthesis,and could be instructive for the study of GL biosynthesis catalyzed by other SOTs.展开更多
When the motion of a particle is constrained, excess terms exist using hermitian form of Cartesian momentum pi (i=1, 2,3) in usual kinetic energy (1/2/μ)∑ pi^2 , and the correct kinetic energy turns out to be (...When the motion of a particle is constrained, excess terms exist using hermitian form of Cartesian momentum pi (i=1, 2,3) in usual kinetic energy (1/2/μ)∑ pi^2 , and the correct kinetic energy turns out to be (1/2μ) ∑1/ fipi f ipi, where fi are dummy factors in classical mechanics and nontrivial in quantum mechanics. In this paper the explicit form of the dummy functions fi is given for a charged rigid planar rotator in the uniform magnetic field with different gauge chosen. Under different gauges, we have different sets of dummy factors. It means that these factors do not have direct observable effect.展开更多
Transcription factors, which represent an important class of proteins that play key roles in controlling cellular proliferation and cell cycle modulation, are attractive targets for cancer therapy. Previous researches...Transcription factors, which represent an important class of proteins that play key roles in controlling cellular proliferation and cell cycle modulation, are attractive targets for cancer therapy. Previous researches have shown that the expression level of activating transcription factor 5 (ATF5) was frequently increased in glioma and its acetylation level was related to glioma. The purposes of this study were to explore the methylation level of ATF5 in clinical glioma tissues and to explore the effect of ATF5 methylation on the expression of ATF5 in glioma. Methylation of the promoter region of ATF5 was assayed by bisulflte-specific polymerase chain reaction (PCR) sequencing analysis in 35 cases of glioma and 5 normal tissues. Quantitative real-time PCR (qRT-PCR) was also performed to detect ATF5 mRNA expression in 35 cases of glioma and 5 normal tissues. Clinical data were collected from the patients and analyzed. The percentages of methylation of the ATF5 gene in the promoter region in healthy control, patients with well-differentiated glioma, and those with poorly differentiated glioma were 87.78%, 73.89%, and 47.70%, respectively. Analysis of the methylation status of the promoter region of the ATF5 gene showed a gradually de- creased methylation level in poorly differentiated glioma, well-differentiated glioma, and normal tissues (P〈0.05). There was also a significant difference between well-differentiated glioma and poorly differentiated glioma (P〈0.05). ATF5 mRNA expression in glioma was significantly higher than that in the normal tissues (P〈0.05). This study provides the first evidence that the methylation level of ATF5 decreased, and its mRNA expression was evidently up-regulated in glioma.展开更多
The non-Condon effect plays an important role in the process of electron transfer (ET). Several theoretical models have been proposed to investigate its effect on ET rates. In this paper,we overview a theoretical meth...The non-Condon effect plays an important role in the process of electron transfer (ET). Several theoretical models have been proposed to investigate its effect on ET rates. In this paper,we overview a theoretical method for the calculations of the non-Condon ET rate constants proposed by us,and its applications to organic semiconductors. First,full quantum expressions of the non-Condon ET rates are presented with the electronic couplings having exponential,Gaussian and linear dependences in terms of the nuclear coordinates,respectively. The proposed formulas have closed forms in time domain and they thus can be easily applied in multi-mode systems. Then,the driving force dependences of the ET rates involving the non-Condon effect are calculated with the use of full quantum mechanical formulas. It is found that these dependences show very different prop-erties from the Marcus one. As an example of applications,the approaches are used to investigate the non-Condon effect on the mobility of the organic semiconductor dithiophene-tetrathiafulvalene (DT-TTF). The results manifest that the non-Condon ef-fect enhances ET rates compared with the Condon approximation,and static fluctuations of electronic coupling dominate the ET rate in the DT-TTF,which has been confirmed by the molecular dynamics simulation.展开更多
文摘Two methods for vibration characteristic investigation of the counter-rotating dual-rotors in an aero-en- gine are put forward. The two methods use DAMP tool on the MSC. NASTRAN platform and develope the re- solving sequence. Vibration characteristics of a turbofan engine are analyzed by using the two methods. Com- pared with results calculated using transfer matrix method and test results, the two methods are valuable and have great potential in practical applications for vibration characteristic investigation of aero-engines with high thrust-weight ratio.
基金National Natural Science Foundation of China under Grant Nos.10575005,10435080,10425521,10135030,and 10575123the Key Grant Project of the Ministry of Education under Grant No.305001the CAS Knowledge Innovation Project under Grant No.KJcx2-sw-No2
文摘Deconlinement phase transition and neutrino trapping in (proto)neutron star matter are investigated in a chiral hadronic model (also referred to as the FST model) for the hadronic phase (HP) and in the color-flavor-locked (CFL) quark model for the deconlined quark phase. We include a perturbative QCD correction parameter αs in the CFL quark matter equation of states. It is shown that the CFL quark core with K^0 condensation forms in neutron star matter with the large value of αs. If the small value of αs is taken, hyperons suppress the CFL quark phase and the liP is dominant in the high-density region of (proto)neutron star matter. Neutrino trapping makes the fraction of the CFL quark matter decrease compared with those without neutrino trapping. Moreover, increasing the QCD correction parameter as or decreasing the bag constant B and the strange quark mass ms can make the fraction of the CFL quark matter increase, simultaneously, the fraction of neutrino in protoneutron star matter increases, too. The maximum masses and the corresponding radii of (proto)neutron stars are not sensitive to the QCD correction parameter αs.
基金supported by the National Natural Science Foundation of China(No.21973005)。
文摘As the major and abundant type of glucosinolates(GL)in plants,sinigrin has potential functions in promoting health and insect defense.The final step in the biosynthesis of sinigrin core structure is highly representative in GL compounds,which corresponds to the process from 3-methylthiopropyl ds-GL to 3-methylthiopropyl GL catalyzed by sulfotransferase(SOT).However,due to the lack of the crystallographic structure of SOT complexed with the 3-methylthiopropyl GL,little is known about this sulfonation process.Fortunately,the crystal structure of SOT 18 from Arabidopsis thaliana(At SOT18)containing the substance(sinigrin)similar to 3-methylthiopropyl GL has been determined.To understand the enzymatic mechanism,we employed molecular dynamics(MD)simulation and quantum mechanics combined with molecular mechanics(QM/MM)methods to study the conversion from ds-sinigrin to sinigrin catalyzed by AtSOT18.The calculated results demonstrate that the reaction occurs through a concerted dissociative mechanism.Moreover,Lys93,Thr96,Thr97,Tyr130,His155,and two enzyme peptide chains(Pro92-Lys93 and Gln95-Thr96-Thr97)play a role in positioning the substrates and promoting the catalytic reaction by stabilizing the transition state geometry.Particularly,His155 acts as a catalytic base while Lys93 acts as a catalytic acid in the reaction process.The presently proposed concerted dissociative mechanism explains the role of At SOT18 in sinigrin biosynthesis,and could be instructive for the study of GL biosynthesis catalyzed by other SOTs.
基金The project supported by the Program for New Century Excellent Talents in Universities, Ministry of Education, and the Key Teaching Reform Program of Hunan Province
文摘When the motion of a particle is constrained, excess terms exist using hermitian form of Cartesian momentum pi (i=1, 2,3) in usual kinetic energy (1/2/μ)∑ pi^2 , and the correct kinetic energy turns out to be (1/2μ) ∑1/ fipi f ipi, where fi are dummy factors in classical mechanics and nontrivial in quantum mechanics. In this paper the explicit form of the dummy functions fi is given for a charged rigid planar rotator in the uniform magnetic field with different gauge chosen. Under different gauges, we have different sets of dummy factors. It means that these factors do not have direct observable effect.
基金supported by the National Natural Science Foundation(Nos.81471958 and 31401258)the Natural Science Foundation of Shandong Province(No.ZR2012BM006),China
文摘Transcription factors, which represent an important class of proteins that play key roles in controlling cellular proliferation and cell cycle modulation, are attractive targets for cancer therapy. Previous researches have shown that the expression level of activating transcription factor 5 (ATF5) was frequently increased in glioma and its acetylation level was related to glioma. The purposes of this study were to explore the methylation level of ATF5 in clinical glioma tissues and to explore the effect of ATF5 methylation on the expression of ATF5 in glioma. Methylation of the promoter region of ATF5 was assayed by bisulflte-specific polymerase chain reaction (PCR) sequencing analysis in 35 cases of glioma and 5 normal tissues. Quantitative real-time PCR (qRT-PCR) was also performed to detect ATF5 mRNA expression in 35 cases of glioma and 5 normal tissues. Clinical data were collected from the patients and analyzed. The percentages of methylation of the ATF5 gene in the promoter region in healthy control, patients with well-differentiated glioma, and those with poorly differentiated glioma were 87.78%, 73.89%, and 47.70%, respectively. Analysis of the methylation status of the promoter region of the ATF5 gene showed a gradually de- creased methylation level in poorly differentiated glioma, well-differentiated glioma, and normal tissues (P〈0.05). There was also a significant difference between well-differentiated glioma and poorly differentiated glioma (P〈0.05). ATF5 mRNA expression in glioma was significantly higher than that in the normal tissues (P〈0.05). This study provides the first evidence that the methylation level of ATF5 decreased, and its mRNA expression was evidently up-regulated in glioma.
基金supported by the National Natural Science Foundation of China (20833004 and 21073146)Research Fund for the Doctoral Program of Higher Education of China (200803840009)
文摘The non-Condon effect plays an important role in the process of electron transfer (ET). Several theoretical models have been proposed to investigate its effect on ET rates. In this paper,we overview a theoretical method for the calculations of the non-Condon ET rate constants proposed by us,and its applications to organic semiconductors. First,full quantum expressions of the non-Condon ET rates are presented with the electronic couplings having exponential,Gaussian and linear dependences in terms of the nuclear coordinates,respectively. The proposed formulas have closed forms in time domain and they thus can be easily applied in multi-mode systems. Then,the driving force dependences of the ET rates involving the non-Condon effect are calculated with the use of full quantum mechanical formulas. It is found that these dependences show very different prop-erties from the Marcus one. As an example of applications,the approaches are used to investigate the non-Condon effect on the mobility of the organic semiconductor dithiophene-tetrathiafulvalene (DT-TTF). The results manifest that the non-Condon ef-fect enhances ET rates compared with the Condon approximation,and static fluctuations of electronic coupling dominate the ET rate in the DT-TTF,which has been confirmed by the molecular dynamics simulation.