Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM d...Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM dehalogenase remain unexplored.In order to gain a deeper understanding of the binding sites and dissociation pathways of dichloromethane(DCM)and glutathione(GSH)from the DCM dehalogenase,random accelerated molecular dynamics(RAMD)simulations were performed,in which DCM and GSH were forced to leave the active site.The protein structure was predicted using Alphafold2,and the conformations of GSH and DCM in the binding pocket were predicted by docking.A long equilibrium simulation was conducted to validate the structure of the complex.The results show that GSH is most commonly observed in three main pathways,one of which is more important than the other two.In addition,DCM was observed to escape along a unique pathway.The key residues and protein helices of each pathway were identified.The results can provide a theoretical foundation for the subsequent dissociation mechanism of DCM dehalogenase.展开更多
A effective approximate scheme which is combined by cluster with the discrelized path-integral representation (DPIR) is used in the study on the random-bond Ising model in a transverse field (RTIM). The critical therm...A effective approximate scheme which is combined by cluster with the discrelized path-integral representation (DPIR) is used in the study on the random-bond Ising model in a transverse field (RTIM). The critical thermodynamical properties, such as the critical temperature, the critical transverse field, the average magnetization ,the susceptibility and the special heat atc.. are calculated, And some results have been improved.展开更多
Objective: To observe the effectiveness and safety of electroacupuncture (EA) plus Luohua Anshen oral liquid for patients with perimenopausal insomnia. Methods: A total of 66 participants who met the inclusion criteri...Objective: To observe the effectiveness and safety of electroacupuncture (EA) plus Luohua Anshen oral liquid for patients with perimenopausal insomnia. Methods: A total of 66 participants who met the inclusion criteria were enrolled in the randomized controlled trial and allocated to a treatment group and a control group at a ratio of 1:1, with 33 cases in each group. Both groups were given Luohua Anshen oral liquid as a basic treatment. The treatment group was additionally given EA every other day, three times a week. Both groups were treated for four weeks and a four-week follow-up was conducted. The scores of Pittsburgh sleep quality index (PSQI), Kupperman index (KI) and traditional Chinese medicine sleep syndrome scale (TCMSSS) were recorded at pre- and post-treatment, and at the follow-up. Meanwhile, adverse effects were monitored and recorded. Results: After four-week treatment, the global scores of PSQI, KI and TCMSSS in both groups declined significantly (all P<0.05), and the decreases in the treatment group were more significant than those in the control group (allP<0.05). The global scores of PSQI, KI and TCMSSS in both groups at the follow-up visit were significantly different from the corresponding baseline (allP<0.05), while insignificantly different from those assessed at post-treatment (allP>0.05). The total effective rate was 93.9% in the treatment group, significantly higher than 72.2% in the control group (P<0.05). No significant adverse event was reported in this trial excepted one patient experienced slight dizziness in the first acupuncture treatment. Conclusion: EA plus Luohua Anshen oral liquid is safe for perimenopausal insomnia with satisfactory short- and long-term effectiveness, and it shows certain advantage compared with using Luohua Anshen oral liquid alone.展开更多
We address the question of how the structure condition is affected when one possesses some additional information at the very beginning of the investment period.The structure condition represents essentially an altern...We address the question of how the structure condition is affected when one possesses some additional information at the very beginning of the investment period.The structure condition represents essentially an alternative to non-arbitrage conditions for the Markowitz’s portfolio optimization framework,and is crucial for the existence of the optimal portfolio in quadratic utility settings.Herein,we provide practical assumption on the initial market model and the additional information to preserve the structure condition.The stochastic tools that drive this result are a generalization of the Lazaro-Yor representation by Lazaro and Yor(1978)and optional stochastic integral.展开更多
OBJECTIVE:To systematically review the benefits of integrated traditional and Western medicine therapies based on the Hamilton depression scale(HAMD) following syndrome differentiation of depression.METHODS:We searche...OBJECTIVE:To systematically review the benefits of integrated traditional and Western medicine therapies based on the Hamilton depression scale(HAMD) following syndrome differentiation of depression.METHODS:We searched six English and Chinese electronic databases for randomized clinical trials(RCTs) on integrated traditional and Western medicine for treatment of depression.Two authors extracted data and independently assessed the trial quality.RevMan 5 software was used for data analyses with an effect estimate presented as weighted mean difference(WMD) with a 95% confidence interval(CI).RESULTS:Seven RCTs with 576 participants were identified for this review.All trials were eligible for the meta-analysis and were evaluated as unclear or having a risk of bias.Meta-analysis showed,compared with Western medicine alone,integrated traditional and Western medicine based on syndrome differentiation could improve the effect of treatment represented by the HAMD [WMD=-2.39,CI(-2.96,-1.83),Z=8.29,P<0.00001].There were no reported serious adverse effects that were related to integrated traditional and Western medicine based therapies in these trials.CONCLUSIONS:Integrated traditional and Western medicine based therapies for the syndrome differentiation of depression significantly improved the HAMD,illustrating that combining therapies from integrated traditional and Western medicine for treatment of depression is better than Western medicine alone.However,further large,rigorously designed trials are warranted due to the insufficient methodological rigor seen in the trials included in this study.展开更多
The difficulty to select the best system parameters restricts the engineering application of stochastic resonance (SR). An adaptive cascade stochastic resonance (ACSR) is proposed in the present study. The propose...The difficulty to select the best system parameters restricts the engineering application of stochastic resonance (SR). An adaptive cascade stochastic resonance (ACSR) is proposed in the present study. The proposed method introduces correlation theory into SR, and uses correlation coefficient of the input signals and noise as a weight to construct the weighted signal-to-noise ratio (WSNR) index. The influence of high frequency noise is alleviated and the signal-to-noise ratio index used in traditional SR is improved accordingly. The ACSR with WSNR can obtain optimal parameters adaptively. And it is not necessary to predict the exact frequency of the target signal. In addition, through the secondary utilization of noise, ACSR makes the signal output waveforrn smoother and the fluctuation period more obvious. Simulation example and engineering application of gearbox fault diagnosis demonstrate the effectiveness and feasibility of the proposed method.展开更多
The soil-rock mixture(SRM) is highly heterogeneous. Before carrying out numerical analysis,a structure model should be generated. A reliable way to obtain such structure is by generating random aggregate structure bas...The soil-rock mixture(SRM) is highly heterogeneous. Before carrying out numerical analysis,a structure model should be generated. A reliable way to obtain such structure is by generating random aggregate structure based on random sequential addition(RSA). The classical RSA is neither efficient nor robust since valid positions to place new inclusions are formulated by trial, which involves repetitive overlapping tests. In this paper, the algorithm of Entrance block between block A and B(EAB)is synergized with background mesh to redesign RSA so that permissible positions to place new inclusions can be predicted,resulting in dramatic improvement in efficiency and robustness.展开更多
Using the first-principles band-structure method and a special quasirandom structure(SQS) approach,we have systematically calculated the alloy bowing coefficients and the nature band offsets of SnxZn1-x Te alloys.We s...Using the first-principles band-structure method and a special quasirandom structure(SQS) approach,we have systematically calculated the alloy bowing coefficients and the nature band offsets of SnxZn1-x Te alloys.We show that the bowing coefficients and band gaps of these alloys are sensitively composition dependent.Due to wave functions full overlapping and delocalization of the Sn outermost p orbits and Zn s orbits,the coupling between these states is very strong,resulting in a significant downshift of conduction band edge with the increase of the Sn concentration x,While the valence band edge keeps almost unchanged compared with that of the binary ZnTe,thus improving the possibility for ambipolar-doping.展开更多
OBJECTIVE: To evaluate the efficacy of Jianpi thera- py in Traditional Chinese Medicine (TCM) for treat- ment of chronic obstructive pulmonary disease (COPD) in stable phase by performing a systematic review and ...OBJECTIVE: To evaluate the efficacy of Jianpi thera- py in Traditional Chinese Medicine (TCM) for treat- ment of chronic obstructive pulmonary disease (COPD) in stable phase by performing a systematic review and meta-analysis. METHODS: The literatures concerning randomized controlled trials (RCTs) and quasi-RCTs comparing TCM treatment plus Western Medicine (WM) treat- ment with TCM alone, orTCM treatment vs no treatment, placebo for stable phase of COPD were searched in PubMed (1990-December 2010), in Eng- lish and using Chinese National Knowledge Infra- structure (CNKI, 1990-December 2010), Chinese Bio- medical Database (1990-December 2010), Wang- fang Database (1990-December 2010), and Weipu (VlP) Database in Chinese. The quality assessment and data extraction for RCTs were conducted by two reviewers independently. Jadad scale and allo-cation concealment were used to assess the quality of the included studies, and meta-analyses were conducted with the Collaboration's Revman 5.0 software. RESULTS: Seventeen RCTs or quasi-RCTs involving 1269 patients were included. The methodological quality was poor in all trials except one trial (Jadad score=4). In the meta-analysis, TCM-WM treatment was significantly superior to WM treatment in cure rate [0R=3.82, 95%C/(2.45, 5.95)], and the effective rate between TCM treatment and placebo also had significant difference [0R=4.31, 95%C/(2.35, 7.91)]. Moreover, pulmonary function of the patients in TCM-WM group and TCM group was significantly improved [forced vital capacity (FVC), P=O.01, quali- ty of life, P〈O.O01 ]. CONCLUSION: The experience in TCM-WM treat- ment of COPD in stable phase was encouraging. The current evidence shows that TCM-WM treat- ment might be more efficient in effective rate, qual- ity of life, and FVC than WM treatment alone. But for forced expiratory volume in one second (FEVl) and FEV1/FVC, no matter TCM-WM treatment com- pared with WM treatment alone or TCM treatment compared with placebo, there was no significant difference, with no obvious adverse reactions. Due to the low methodological quality of trials includ- ed, more RCTs of high quality in large scale are re- quired.展开更多
In this paper, we proposed a semi-automatic technique with a marker indicating the target to locate and segment nodules. For the lung nodule detection, we develop a Gabor texture feature by FCM (Fuzzy C Means) segme...In this paper, we proposed a semi-automatic technique with a marker indicating the target to locate and segment nodules. For the lung nodule detection, we develop a Gabor texture feature by FCM (Fuzzy C Means) segmentation. Given a marker indicating a rough location of the nodules, a decision process is followed by applying an ellipse fitting algorithm. From the ellipse mask, the foreground and background seeds for the random walk segmentation can be automatically obtained. Finally, the edge of the nodules is obtained by the random walk algorithm. The feasibility and effectiveness of the proposed method are evaluated with the various types of the nodules to identify the edges, so that it can be used to locate the nodule edge and its growth rate.展开更多
基金National Natural Science Foundation of China(22073030)the Oriental Scholars of Shanghai Universities。
文摘Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM dehalogenase remain unexplored.In order to gain a deeper understanding of the binding sites and dissociation pathways of dichloromethane(DCM)and glutathione(GSH)from the DCM dehalogenase,random accelerated molecular dynamics(RAMD)simulations were performed,in which DCM and GSH were forced to leave the active site.The protein structure was predicted using Alphafold2,and the conformations of GSH and DCM in the binding pocket were predicted by docking.A long equilibrium simulation was conducted to validate the structure of the complex.The results show that GSH is most commonly observed in three main pathways,one of which is more important than the other two.In addition,DCM was observed to escape along a unique pathway.The key residues and protein helices of each pathway were identified.The results can provide a theoretical foundation for the subsequent dissociation mechanism of DCM dehalogenase.
文摘A effective approximate scheme which is combined by cluster with the discrelized path-integral representation (DPIR) is used in the study on the random-bond Ising model in a transverse field (RTIM). The critical thermodynamical properties, such as the critical temperature, the critical transverse field, the average magnetization ,the susceptibility and the special heat atc.. are calculated, And some results have been improved.
文摘Objective: To observe the effectiveness and safety of electroacupuncture (EA) plus Luohua Anshen oral liquid for patients with perimenopausal insomnia. Methods: A total of 66 participants who met the inclusion criteria were enrolled in the randomized controlled trial and allocated to a treatment group and a control group at a ratio of 1:1, with 33 cases in each group. Both groups were given Luohua Anshen oral liquid as a basic treatment. The treatment group was additionally given EA every other day, three times a week. Both groups were treated for four weeks and a four-week follow-up was conducted. The scores of Pittsburgh sleep quality index (PSQI), Kupperman index (KI) and traditional Chinese medicine sleep syndrome scale (TCMSSS) were recorded at pre- and post-treatment, and at the follow-up. Meanwhile, adverse effects were monitored and recorded. Results: After four-week treatment, the global scores of PSQI, KI and TCMSSS in both groups declined significantly (all P<0.05), and the decreases in the treatment group were more significant than those in the control group (allP<0.05). The global scores of PSQI, KI and TCMSSS in both groups at the follow-up visit were significantly different from the corresponding baseline (allP<0.05), while insignificantly different from those assessed at post-treatment (allP>0.05). The total effective rate was 93.9% in the treatment group, significantly higher than 72.2% in the control group (P<0.05). No significant adverse event was reported in this trial excepted one patient experienced slight dizziness in the first acupuncture treatment. Conclusion: EA plus Luohua Anshen oral liquid is safe for perimenopausal insomnia with satisfactory short- and long-term effectiveness, and it shows certain advantage compared with using Luohua Anshen oral liquid alone.
基金supported by the Natural Sciences and Engineering Research Council of Canada (Grant No. G121210818)National Natural Science Foundation of China (Grant No. 11501105)
文摘We address the question of how the structure condition is affected when one possesses some additional information at the very beginning of the investment period.The structure condition represents essentially an alternative to non-arbitrage conditions for the Markowitz’s portfolio optimization framework,and is crucial for the existence of the optimal portfolio in quadratic utility settings.Herein,we provide practical assumption on the initial market model and the additional information to preserve the structure condition.The stochastic tools that drive this result are a generalization of the Lazaro-Yor representation by Lazaro and Yor(1978)and optional stochastic integral.
基金supported by the National Natural Science Foundation of China (81072756,30672578)the Chinese National Funds for Distinguished Young Scientists (30825046)+1 种基金the Hi-Tech Research and Development Program of China (2008AA02Z406)the Program for Innovative Research Teams in Beijing University of Chinese Medicine (2011CXTD-07)
文摘OBJECTIVE:To systematically review the benefits of integrated traditional and Western medicine therapies based on the Hamilton depression scale(HAMD) following syndrome differentiation of depression.METHODS:We searched six English and Chinese electronic databases for randomized clinical trials(RCTs) on integrated traditional and Western medicine for treatment of depression.Two authors extracted data and independently assessed the trial quality.RevMan 5 software was used for data analyses with an effect estimate presented as weighted mean difference(WMD) with a 95% confidence interval(CI).RESULTS:Seven RCTs with 576 participants were identified for this review.All trials were eligible for the meta-analysis and were evaluated as unclear or having a risk of bias.Meta-analysis showed,compared with Western medicine alone,integrated traditional and Western medicine based on syndrome differentiation could improve the effect of treatment represented by the HAMD [WMD=-2.39,CI(-2.96,-1.83),Z=8.29,P<0.00001].There were no reported serious adverse effects that were related to integrated traditional and Western medicine based therapies in these trials.CONCLUSIONS:Integrated traditional and Western medicine based therapies for the syndrome differentiation of depression significantly improved the HAMD,illustrating that combining therapies from integrated traditional and Western medicine for treatment of depression is better than Western medicine alone.However,further large,rigorously designed trials are warranted due to the insufficient methodological rigor seen in the trials included in this study.
基金supported by the National Basic Research Program of China ("973" Program) (Grant No. 2011CB706805)the National Natural Science Foundation of China (Grant No. 51035007)
文摘The difficulty to select the best system parameters restricts the engineering application of stochastic resonance (SR). An adaptive cascade stochastic resonance (ACSR) is proposed in the present study. The proposed method introduces correlation theory into SR, and uses correlation coefficient of the input signals and noise as a weight to construct the weighted signal-to-noise ratio (WSNR) index. The influence of high frequency noise is alleviated and the signal-to-noise ratio index used in traditional SR is improved accordingly. The ACSR with WSNR can obtain optimal parameters adaptively. And it is not necessary to predict the exact frequency of the target signal. In addition, through the secondary utilization of noise, ACSR makes the signal output waveforrn smoother and the fluctuation period more obvious. Simulation example and engineering application of gearbox fault diagnosis demonstrate the effectiveness and feasibility of the proposed method.
基金supported by the National Basic Research Program of China(973 Program)(Grant No.2014CB047100)the National Natural Science Foundation of China(Grant Nos.11572009,51538001 and 51609240)
文摘The soil-rock mixture(SRM) is highly heterogeneous. Before carrying out numerical analysis,a structure model should be generated. A reliable way to obtain such structure is by generating random aggregate structure based on random sequential addition(RSA). The classical RSA is neither efficient nor robust since valid positions to place new inclusions are formulated by trial, which involves repetitive overlapping tests. In this paper, the algorithm of Entrance block between block A and B(EAB)is synergized with background mesh to redesign RSA so that permissible positions to place new inclusions can be predicted,resulting in dramatic improvement in efficiency and robustness.
基金Supported by the National Basic Research Program of China under Grant No. 2011CB606405the Hunan Provincial Natural Science Foundation of China under Grant No. 11JJ4002the Fundamental Research Funds for the Central Universities
文摘Using the first-principles band-structure method and a special quasirandom structure(SQS) approach,we have systematically calculated the alloy bowing coefficients and the nature band offsets of SnxZn1-x Te alloys.We show that the bowing coefficients and band gaps of these alloys are sensitively composition dependent.Due to wave functions full overlapping and delocalization of the Sn outermost p orbits and Zn s orbits,the coupling between these states is very strong,resulting in a significant downshift of conduction band edge with the increase of the Sn concentration x,While the valence band edge keeps almost unchanged compared with that of the binary ZnTe,thus improving the possibility for ambipolar-doping.
基金Supported by Program for Changjiang Scholars and Innovative Research Team in University, Ministry of Education ofChina (NO. IRT0977)
文摘OBJECTIVE: To evaluate the efficacy of Jianpi thera- py in Traditional Chinese Medicine (TCM) for treat- ment of chronic obstructive pulmonary disease (COPD) in stable phase by performing a systematic review and meta-analysis. METHODS: The literatures concerning randomized controlled trials (RCTs) and quasi-RCTs comparing TCM treatment plus Western Medicine (WM) treat- ment with TCM alone, orTCM treatment vs no treatment, placebo for stable phase of COPD were searched in PubMed (1990-December 2010), in Eng- lish and using Chinese National Knowledge Infra- structure (CNKI, 1990-December 2010), Chinese Bio- medical Database (1990-December 2010), Wang- fang Database (1990-December 2010), and Weipu (VlP) Database in Chinese. The quality assessment and data extraction for RCTs were conducted by two reviewers independently. Jadad scale and allo-cation concealment were used to assess the quality of the included studies, and meta-analyses were conducted with the Collaboration's Revman 5.0 software. RESULTS: Seventeen RCTs or quasi-RCTs involving 1269 patients were included. The methodological quality was poor in all trials except one trial (Jadad score=4). In the meta-analysis, TCM-WM treatment was significantly superior to WM treatment in cure rate [0R=3.82, 95%C/(2.45, 5.95)], and the effective rate between TCM treatment and placebo also had significant difference [0R=4.31, 95%C/(2.35, 7.91)]. Moreover, pulmonary function of the patients in TCM-WM group and TCM group was significantly improved [forced vital capacity (FVC), P=O.01, quali- ty of life, P〈O.O01 ]. CONCLUSION: The experience in TCM-WM treat- ment of COPD in stable phase was encouraging. The current evidence shows that TCM-WM treat- ment might be more efficient in effective rate, qual- ity of life, and FVC than WM treatment alone. But for forced expiratory volume in one second (FEVl) and FEV1/FVC, no matter TCM-WM treatment com- pared with WM treatment alone or TCM treatment compared with placebo, there was no significant difference, with no obvious adverse reactions. Due to the low methodological quality of trials includ- ed, more RCTs of high quality in large scale are re- quired.
基金Acknowledgments This work was supported by the National Natural Science Foundation of China (Project Nos. 81000639 and 31000450), China Postdoctoral Science Foundation (Project Nos. 20100470791 and 201104307), and Program of the Pearl River Young Talents of Science and Technology in Guangzhou (No. 2012J2200041).
文摘In this paper, we proposed a semi-automatic technique with a marker indicating the target to locate and segment nodules. For the lung nodule detection, we develop a Gabor texture feature by FCM (Fuzzy C Means) segmentation. Given a marker indicating a rough location of the nodules, a decision process is followed by applying an ellipse fitting algorithm. From the ellipse mask, the foreground and background seeds for the random walk segmentation can be automatically obtained. Finally, the edge of the nodules is obtained by the random walk algorithm. The feasibility and effectiveness of the proposed method are evaluated with the various types of the nodules to identify the edges, so that it can be used to locate the nodule edge and its growth rate.