Optimization calculations of 209 polychlorinated biphenyls （PCBs） were carried out at the B3LYP/6-31G^＊ level. It was found that there is significant correlation between the Cl substitution position and some struct...Optimization calculations of 209 polychlorinated biphenyls （PCBs） were carried out at the B3LYP/6-31G^＊ level. It was found that there is significant correlation between the Cl substitution position and some structural parameters. Consequently, Cl substitution positions were taken as theoretical descriptors to establish a novel QSPR model for predicting –lgSw of all PCB congeners. The model achieved in this work contains four variables, of which r^2 = 0.9527, q^2 = 0.9490 and SD = 0.25 with large t values. In addition, the variation inflation factors （VIFs） of variables in this model are all less than 5.0, suggesting high accuracy of the –lgSw predicting model. And the results of cross-validation test and method validation also show that the model exhibits optimum stability and better predictive capability than that from the AM1 method.展开更多
In the present investigation,measurement of leukocyte chemiluminescence (CL) wasundertaken using micro-whole blood assay in 76 patients with coronary heart diseases (CHDs).The findings showed that there was a signific...In the present investigation,measurement of leukocyte chemiluminescence (CL) wasundertaken using micro-whole blood assay in 76 patients with coronary heart diseases (CHDs).The findings showed that there was a significant increase in leukocyte CL in patients with un-stable angina pectoris (UAP) and acute myocardial infarction (AM1) (P【0.01) and the in-crease was greater in AMI than that in UAP (P【0,01).It was found that leukocyte CL inAMI was correlated with the extent of the infarct and increased with the size of the infarct.Leukocyte CL in AMI patients who had received fibrinolytic treatment was markedly greaterthan that before treatment (P【0.05),suggesting that leukocytes may play an important rolein the pathogenesis of CHDs and may be involved in myocardial ischemia-reperfusion induced in-jury.The findings of the present study demonstrate that measurement of leukocyte CL may beof benefits for prognosis and treatment of CHDs.展开更多
By means of improved overlapping Muffin-Tin X_a method recently developed the ground state ~2and the first excited state ~2Σ^+ of the XBS^+(X=H,F,Cl)cations are studied.The calculated energies are in good agreement w...By means of improved overlapping Muffin-Tin X_a method recently developed the ground state ~2and the first excited state ~2Σ^+ of the XBS^+(X=H,F,Cl)cations are studied.The calculated energies are in good agreement with experiment.The ionization potentials of sulphi- doborons,XBS(X=H,F,Cl,Br)are also computed and compared with photoelectron spectra re- sults.展开更多
We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted m...We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted multi- reference configuration interaction/cc-pV（T＋d）Z level with the other two geometric parameters fixed at the state equilibrium conformation. The vertical transition energy, the oscillator strength, the main configuration and the electron transition are also investigated at the same level.展开更多
Objective:To compare the effects of clinical application of chemiluminescence and real-time,fluorescence-based quantitative PCR in the detection Epstein-Barr virus(EBV).Methods:The data of chemiluminescence and real-t...Objective:To compare the effects of clinical application of chemiluminescence and real-time,fluorescence-based quantitative PCR in the detection Epstein-Barr virus(EBV).Methods:The data of chemiluminescence and real-time fluorescent quantitative PCR.fromipaEsfwo were suspected of being infectea w1tn rito1 roro January 2016 to January 2019 in our hospital were analyzed.The specific stage of EBV infection was analyzed,and the differences in results of the two detection methods were compared.Results:Chemiluminescence method was used to detect EBV infection during the active phase.The sensitivity of the chemiluminescence method was 76.7%(56/73)and the real-time quantitative PCRmethod was 90.4%(66/73).There was a statistical difference between the two detection methods(P<0.05).Conclusion:There was no statistical difference in positive predictive values between the chemiluminescence method and the real-time,fluorescence-based quantitative PCR method in the detection of EBV infection,but the sensitivity of chemiluminescence method is slightly lower than the real-time quantitative PCRmethod.It is noteworthy that chemiluminescence method is convenient and fast while the real-time,fluorescence-based quantitative PCR method is more accurate,which can provide a more accurate reference for clinical treatment.展开更多
Objective: To analyze the dynamic evaluation of chemiluminescence, colloidal gold, and immunofluorescence chromatography in detecting antibodies in COVID-19 patients within four weeks of infection, and to provide evid...Objective: To analyze the dynamic evaluation of chemiluminescence, colloidal gold, and immunofluorescence chromatography in detecting antibodies in COVID-19 patients within four weeks of infection, and to provide evidence for clinical application. Method: 74 patients with confirmed SARS-COV-2 infection in the local area were selected as the experimental group, while 231 patients with negative SARS-COV-2 results but not vaccinated with Covid19 vaccine were selected as the control group;during the first, second, third, and fourth weeks after enrollment in the experimental group, three methods were used to detect SARS-COV-2 IgG and IgM in patients’ blood: chemiluminescence method, colloidal gold antibody method, and immuno-fluorescence chromatography. In the control group, three methods were used to detect SARS-COV-2 IgG and IgM during physical examination for SARS-COV-2 nucleic acids. The ROC curve was drawn to analyze the value of each indicator in predicting SARS-COV-2 infection, and the kappa method was used to analyze the consistency of the detection results of each indicator. Results: There was no significant difference in the positive rates of SARS-COV-2 IgM and IgG antibodies detected by chemiluminescence, colloidal gold, and immunofluorescence chromatography during the four-week period (P > 0.05). The positive rates of SARS-COV-2 IgM and IgG antibodies detected by the three methods during the first week of infection were not higher than 60%;when the three methods were used to detect SARS-COV-2 IgM and IgG in vivo, the AUC diagnosed by the test results was less than 0.80 at the first week, the diagnostic efficacy of the three methods was above 0.95 from the second week to the fourth week, and the diagnostic efficacy of the three methods was higher than 0.97 at the fourth week. The diagnostic efficacy of the three methods was comparable;the three methods for detecting SARS-COV-2 IgM and IgG antibodies showed high consistency in four cycles. Conclusion: Chemiluminescence, colloidal gold, and immunofluorescence chromatography are highly consistent in the detection of SARS-COV-2 IgM and IgG antibodies, and can be used as an auxiliary diagnosis and efficacy observation of novel coronavirus infections according to the needs, but the positive rate of infected people in the first week is low.展开更多
采用溶剂-非溶剂的方法,通过加入不同的晶形控制剂制备超细CL-20,并对晶形控制剂的种类和用量、加料方式等因素进行了分析。结果表明,晶形控制剂的种类、用量及样品溶剂加料方式严重地影响着超细CL-20的晶形。对于2.0 g CL-20原料,采用3...采用溶剂-非溶剂的方法,通过加入不同的晶形控制剂制备超细CL-20,并对晶形控制剂的种类和用量、加料方式等因素进行了分析。结果表明,晶形控制剂的种类、用量及样品溶剂加料方式严重地影响着超细CL-20的晶形。对于2.0 g CL-20原料,采用3.5 mL质量浓度2%聚乙烯醇类化合物(PV)晶形控制剂,所得到的超细粉末晶形大多为块状,晶体粒径最小可达到1μm;采用6.5 mL质量浓度5%聚氧乙烯醚类化合物(PT)晶形控制剂,所得到的超细粉末晶形也大多为块状,晶体粒径最小可达到2μm。采用喷壶方式加料,使用6.5 mL质量浓度5%PT晶形控制剂可使晶形呈椭圆形,晶体粒径最小可达到1μm,细化后的CL-20热敏感性更高,晶型仍为ε型。展开更多
基金This work was supported by the 973 National Basic Research Program of China (2003CB415002)the China Postdoctoral Science Foundation (No. 2003033486)
文摘Optimization calculations of 209 polychlorinated biphenyls （PCBs） were carried out at the B3LYP/6-31G^＊ level. It was found that there is significant correlation between the Cl substitution position and some structural parameters. Consequently, Cl substitution positions were taken as theoretical descriptors to establish a novel QSPR model for predicting –lgSw of all PCB congeners. The model achieved in this work contains four variables, of which r^2 = 0.9527, q^2 = 0.9490 and SD = 0.25 with large t values. In addition, the variation inflation factors （VIFs） of variables in this model are all less than 5.0, suggesting high accuracy of the –lgSw predicting model. And the results of cross-validation test and method validation also show that the model exhibits optimum stability and better predictive capability than that from the AM1 method.
文摘In the present investigation,measurement of leukocyte chemiluminescence (CL) wasundertaken using micro-whole blood assay in 76 patients with coronary heart diseases (CHDs).The findings showed that there was a significant increase in leukocyte CL in patients with un-stable angina pectoris (UAP) and acute myocardial infarction (AM1) (P【0.01) and the in-crease was greater in AMI than that in UAP (P【0,01).It was found that leukocyte CL inAMI was correlated with the extent of the infarct and increased with the size of the infarct.Leukocyte CL in AMI patients who had received fibrinolytic treatment was markedly greaterthan that before treatment (P【0.05),suggesting that leukocytes may play an important rolein the pathogenesis of CHDs and may be involved in myocardial ischemia-reperfusion induced in-jury.The findings of the present study demonstrate that measurement of leukocyte CL may beof benefits for prognosis and treatment of CHDs.
文摘By means of improved overlapping Muffin-Tin X_a method recently developed the ground state ~2and the first excited state ~2Σ^+ of the XBS^+(X=H,F,Cl)cations are studied.The calculated energies are in good agreement with experiment.The ionization potentials of sulphi- doborons,XBS(X=H,F,Cl,Br)are also computed and compared with photoelectron spectra re- sults.
基金Supported by the National Natural Science Foundation of China under Grant No 11447148
文摘We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted multi- reference configuration interaction/cc-pV（T＋d）Z level with the other two geometric parameters fixed at the state equilibrium conformation. The vertical transition energy, the oscillator strength, the main configuration and the electron transition are also investigated at the same level.
文摘Objective:To compare the effects of clinical application of chemiluminescence and real-time,fluorescence-based quantitative PCR in the detection Epstein-Barr virus(EBV).Methods:The data of chemiluminescence and real-time fluorescent quantitative PCR.fromipaEsfwo were suspected of being infectea w1tn rito1 roro January 2016 to January 2019 in our hospital were analyzed.The specific stage of EBV infection was analyzed,and the differences in results of the two detection methods were compared.Results:Chemiluminescence method was used to detect EBV infection during the active phase.The sensitivity of the chemiluminescence method was 76.7%(56/73)and the real-time quantitative PCRmethod was 90.4%(66/73).There was a statistical difference between the two detection methods(P<0.05).Conclusion:There was no statistical difference in positive predictive values between the chemiluminescence method and the real-time,fluorescence-based quantitative PCR method in the detection of EBV infection,but the sensitivity of chemiluminescence method is slightly lower than the real-time quantitative PCRmethod.It is noteworthy that chemiluminescence method is convenient and fast while the real-time,fluorescence-based quantitative PCR method is more accurate,which can provide a more accurate reference for clinical treatment.
文摘Objective: To analyze the dynamic evaluation of chemiluminescence, colloidal gold, and immunofluorescence chromatography in detecting antibodies in COVID-19 patients within four weeks of infection, and to provide evidence for clinical application. Method: 74 patients with confirmed SARS-COV-2 infection in the local area were selected as the experimental group, while 231 patients with negative SARS-COV-2 results but not vaccinated with Covid19 vaccine were selected as the control group;during the first, second, third, and fourth weeks after enrollment in the experimental group, three methods were used to detect SARS-COV-2 IgG and IgM in patients’ blood: chemiluminescence method, colloidal gold antibody method, and immuno-fluorescence chromatography. In the control group, three methods were used to detect SARS-COV-2 IgG and IgM during physical examination for SARS-COV-2 nucleic acids. The ROC curve was drawn to analyze the value of each indicator in predicting SARS-COV-2 infection, and the kappa method was used to analyze the consistency of the detection results of each indicator. Results: There was no significant difference in the positive rates of SARS-COV-2 IgM and IgG antibodies detected by chemiluminescence, colloidal gold, and immunofluorescence chromatography during the four-week period (P > 0.05). The positive rates of SARS-COV-2 IgM and IgG antibodies detected by the three methods during the first week of infection were not higher than 60%;when the three methods were used to detect SARS-COV-2 IgM and IgG in vivo, the AUC diagnosed by the test results was less than 0.80 at the first week, the diagnostic efficacy of the three methods was above 0.95 from the second week to the fourth week, and the diagnostic efficacy of the three methods was higher than 0.97 at the fourth week. The diagnostic efficacy of the three methods was comparable;the three methods for detecting SARS-COV-2 IgM and IgG antibodies showed high consistency in four cycles. Conclusion: Chemiluminescence, colloidal gold, and immunofluorescence chromatography are highly consistent in the detection of SARS-COV-2 IgM and IgG antibodies, and can be used as an auxiliary diagnosis and efficacy observation of novel coronavirus infections according to the needs, but the positive rate of infected people in the first week is low.
