The human pregnane X receptor(hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiat...The human pregnane X receptor(hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards h PXR. Heuristic method(HM)-Best Subset Modeling(BSM) and HM-Polynomial Neural Networks(PNN) were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain(AD) of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved(for HM-BSM, r^2=0.881, q^2_(LOO)=0.797, q^2_(EXT)=0.674; for HM-PNN, r^2=0.882, q^2_(LOO)=0.856, q^2_(EXT)=0.655). The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to h PXR.展开更多
Background: The first described obesity-susceptibility gene was the fat mass and obesity-associated (FTO) gene. However, knowledge about FTO's potential modifying effect on changes in body weight achieved through ...Background: The first described obesity-susceptibility gene was the fat mass and obesity-associated (FTO) gene. However, knowledge about FTO's potential modifying effect on changes in body weight achieved through a training program is still limited. We decided to study the association between the FTO A/T polymorphism (rs9939609) and obesity-related traits. Additionally, we investigated whether body mass and body composition, as well as metabolic variables observed in physically active participants, are modulated by the FTO polymorphism. Methods: A group of 201 young Polish women were recruited for the study. The genotype distribution was examined in participants measured for selected changes before and after the completion of a 12-week training program. Results: Our results confirm the association between the common FTO A/T polymorphism and increased body mass index (BMI). Subjects with AA and AT genotypes had higher BMI during the entire study period compared with the TT genotype. Although parameters such as BMI, basal metabolism rate, tissue independence, fat mass percentage, fat mass, fat-free mass, total body water, high-density lipoprotein, and glucose changed significantly during the training program, none of the examined parameters changed significantly across the FTO genotypes (genotype × training interaction). Conclusion: We confirm an association between the FTO A/T polymorphism and increased BMI; this polymorphism is therefore a candidate for influencing obesity and other disease-related phenotypes. Although the gene x physical activity interaction was not shown, we want to point out that promoting physical activity is an important approach to controlling the increasing obesity epidemic.2018 Published by Elsevier B.V. on behalf of Shanghai University of Sport. This is an open access article under the CC BY-NC-ND license. (http://creativecommons.org/licenses/by-nc-nd/4.0/).展开更多
In this study,a series of CuCl_(2)-modified MnO_(x)-CeO_(x)nanorods were synthesized for the oxidation of Hg^(0).The addition of CuCl_(2)resulted in an enhancement in the catalyst’s Hg^(0)oxidation ability,and Hg^(0)...In this study,a series of CuCl_(2)-modified MnO_(x)-CeO_(x)nanorods were synthesized for the oxidation of Hg^(0).The addition of CuCl_(2)resulted in an enhancement in the catalyst’s Hg^(0)oxidation ability,and Hg^(0)oxidation efficiency reached>97%from 150 to 250°C.In the MnO_(x)-CeO_(x)catalysts,Mn^(4+)played the role of the active species for Hg^(0)oxidization,but in the CuCl_(2)-doped catalysts Cl−also contributed to Hg^(0)oxidation,conferring the superior performance of these samples.The introduction of SO_(2) led to a decrease in the availability of Mn^(4+),and the Hg^(0)oxidation efficiency of MnO_(x)-CeO_(x)decreased from about 100%to about 78%.By contrast,CuCl_(2)-promoted samples maintained a Hg^(0)oxidation efficiency of about 100%during the SO_(2) deactivation cycle due to the high reactivity of Cl−.展开更多
The effects of some key factors on nitrogen absorption during the smelting process of X70 pipeline steel were studied,and the source of nitrogen pick-up was analyzed to find the bottleneck for nitrogen control.A serie...The effects of some key factors on nitrogen absorption during the smelting process of X70 pipeline steel were studied,and the source of nitrogen pick-up was analyzed to find the bottleneck for nitrogen control.A series of measures were put forward to decrease the nitrogen pick-up.The results indicated that an exponential relationship existed between the nitrogen absorption index and the free oxygen in molten steel.Nitrogen absorption index could decrease below 0.3when free oxygen in molten steel was above 100×10^(-6) after tapping.For low sulfur killed steel,the nitrogen absorption ratio and sulfur content satisfied a linear relationship with a slope of-0.007.Low free-oxygen and sulfur were beneficial to the deep desulfurization during vacuum treatment.The contradiction of high desulfurization ratio and low nitrogen pick-up during LF process could be resolved by skimming oxidizing slag after tapping and making new high basicity top slag.After optimization,the average content of nitrogen in final product decreased from 46×10(-6)to 35×10(-6).展开更多
To obtain environmentally friendly,integrated and miniaturized gas sensors for the increasing request for the Internet of Things industry and other relative areas,the ultra-thin CoO_(x)/Zn O heterogeneous film with ac...To obtain environmentally friendly,integrated and miniaturized gas sensors for the increasing request for the Internet of Things industry and other relative areas,the ultra-thin CoO_(x)/Zn O heterogeneous film with active interfacial sites was in-situ deposited on micro-electro-mechanical systems(MEMS)as H_(2)S sensor.Atomic layer deposition(ALD)was employed to in-situ fabricate the uniform Zn O thin film.ALD CoO_(x)was deposited on ZnO surface to obtain CoO_(x)/Zn O heterojunction and active interfacial sites.The ultra-thin film(20 nm)with 50 ALD Co O_(x)decorated on 250 ALD Zn O displays excellent sensing performance,including very high response(4.45@200×10^(-9))and selectivity to H_(2)S with a limit of detection(LOD)of 0.38×10^(-9),long-term sensing stability,high response/recovery performance(7.5 s/15.7 s)and mechanical strength at 230。C.Reasons for the high sensing performance of CoO_(x)/Zn O have been confirmed by series of characterizations and density functional theory(DFT)calculation.Heterojunction film thickness with Debye length,the oxygen vacancies and the synergistic effect of active interfacial sites are main reasons for the high sensing performance.The strategy by fabrication of CoO_(x)/Zn O heterogeneous film within Debye length and employing synergistic effect of active interfacial sites offers a promising route for the design of environmentally friendly gas sensors.Furthermore,the ALD technique offers a facile in-situ strategy and high-throughput fabrication of MEMS gas sensors.展开更多
This study demonstrated that as-synthesized nano Fe/Cu bimetals could achieve significant enhancement in the degradation of diclofenac(DCF),as compared to much slow removal of DCF by Cu(Ⅱ) or zero valent iron nanopar...This study demonstrated that as-synthesized nano Fe/Cu bimetals could achieve significant enhancement in the degradation of diclofenac(DCF),as compared to much slow removal of DCF by Cu(Ⅱ) or zero valent iron nanoparticles(nZVI),respectively.Further observations on the evolution of O_(2) activation process by nano Fe/Cu bimetals was conducted stretching to the preparation phase(started by nZVI/Cu2+).Interesting breakpoints we re observed with obvious sudden increase in the DCF degradation efficiency and decrease in solution pH,as the original nZVI just consumed up to Fe(Ⅱ) and Cu(II) appeared again.It suggested that the four-electrons reaction of O_(2) and Cu-deposited nZVI would occur to generate water prior to the breakpoints,while Cu(0) and Fe(Ⅱ) would play most important role in activation of O_(2) afterwards.Through the electron spin resonance(ESR) analysis and quenching experiments.·OH was identified as the responsible reactive species.Further time-dependent quantifications in the cases of Cu(0)/Fe(Ⅱ) systems we re carried out.It was found that the ’OH accumulation was positively and linearly correlated with nCu dose,Fe(Ⅱ) consumption,and Fe(II) dose,respectively.Since either Cu(O) or Fe(Ⅱ)would be inefficient in activating oxygen to produce ·OH,a stage-evolution mechanism of O_(2) activated by nano Fe/Cu bimetals was proposed involving:(a) Rapid consumption of Fe(0) and release of Fe(Ⅱ) based on the Cu-Fe galvanic corrosion,(b) adsorption and transformation of O_(2) to O_(2)2 at the nCu surface,and(c) Fe(Ⅱ)-catalyzed activation of the adsorbed O_(2)2 to ·OH.展开更多
基金supported by grants from the Natural Science Research Project of Institution of Higher Education of Jiangsu Province(No.11KJB180006)National Natural Science Foundation of China(No.21277074 and No.81302458)
文摘The human pregnane X receptor(hPXR) plays a critical role in the metabolism, transport and clearance of xenobiotics in the liver and intestine. The hPXR can be activated by a structurally diverse of drugs to initiate clinically relevant drug-drug interactions. In this article, in silico investigation was performed on a structurally diverse set of drugs to identify critical structural features greatly related to their agonist activity towards h PXR. Heuristic method(HM)-Best Subset Modeling(BSM) and HM-Polynomial Neural Networks(PNN) were utilized to develop the linear and non-linear quantitative structure-activity relationship models. The applicability domain(AD) of the models was assessed by Williams plot. Statistically reliable models with good predictive power and explain were achieved(for HM-BSM, r^2=0.881, q^2_(LOO)=0.797, q^2_(EXT)=0.674; for HM-PNN, r^2=0.882, q^2_(LOO)=0.856, q^2_(EXT)=0.655). The developed models indicated that molecular aromatic and electric property, molecular weight and complexity may govern agonist activity of a structurally diverse set of drugs to h PXR.
基金supported by National Science Centre of Poland(No.2012/07/B/NZ7/01155)
文摘Background: The first described obesity-susceptibility gene was the fat mass and obesity-associated (FTO) gene. However, knowledge about FTO's potential modifying effect on changes in body weight achieved through a training program is still limited. We decided to study the association between the FTO A/T polymorphism (rs9939609) and obesity-related traits. Additionally, we investigated whether body mass and body composition, as well as metabolic variables observed in physically active participants, are modulated by the FTO polymorphism. Methods: A group of 201 young Polish women were recruited for the study. The genotype distribution was examined in participants measured for selected changes before and after the completion of a 12-week training program. Results: Our results confirm the association between the common FTO A/T polymorphism and increased body mass index (BMI). Subjects with AA and AT genotypes had higher BMI during the entire study period compared with the TT genotype. Although parameters such as BMI, basal metabolism rate, tissue independence, fat mass percentage, fat mass, fat-free mass, total body water, high-density lipoprotein, and glucose changed significantly during the training program, none of the examined parameters changed significantly across the FTO genotypes (genotype × training interaction). Conclusion: We confirm an association between the FTO A/T polymorphism and increased BMI; this polymorphism is therefore a candidate for influencing obesity and other disease-related phenotypes. Although the gene x physical activity interaction was not shown, we want to point out that promoting physical activity is an important approach to controlling the increasing obesity epidemic.2018 Published by Elsevier B.V. on behalf of Shanghai University of Sport. This is an open access article under the CC BY-NC-ND license. (http://creativecommons.org/licenses/by-nc-nd/4.0/).
基金supported by the Zhejiang Provincial Natural Science Foundation of China(No.LQ22E060003)the General Research Projects of Zhejiang Provincial Department of Education in 2023(No.Y202353660)the Public Welfare Science and Technology Project of Ningbo City(No.202002N3105),China.
文摘In this study,a series of CuCl_(2)-modified MnO_(x)-CeO_(x)nanorods were synthesized for the oxidation of Hg^(0).The addition of CuCl_(2)resulted in an enhancement in the catalyst’s Hg^(0)oxidation ability,and Hg^(0)oxidation efficiency reached>97%from 150 to 250°C.In the MnO_(x)-CeO_(x)catalysts,Mn^(4+)played the role of the active species for Hg^(0)oxidization,but in the CuCl_(2)-doped catalysts Cl−also contributed to Hg^(0)oxidation,conferring the superior performance of these samples.The introduction of SO_(2) led to a decrease in the availability of Mn^(4+),and the Hg^(0)oxidation efficiency of MnO_(x)-CeO_(x)decreased from about 100%to about 78%.By contrast,CuCl_(2)-promoted samples maintained a Hg^(0)oxidation efficiency of about 100%during the SO_(2) deactivation cycle due to the high reactivity of Cl−.
基金Item Sponsored by National Natural Science Foundation of China(51404018)Fundamental Research Funds for the Central Universities of China(FRF-TP-14-125A2)State Key Laboratory of Advanced Metallurgy Foundation of China(KF13-09)
文摘The effects of some key factors on nitrogen absorption during the smelting process of X70 pipeline steel were studied,and the source of nitrogen pick-up was analyzed to find the bottleneck for nitrogen control.A series of measures were put forward to decrease the nitrogen pick-up.The results indicated that an exponential relationship existed between the nitrogen absorption index and the free oxygen in molten steel.Nitrogen absorption index could decrease below 0.3when free oxygen in molten steel was above 100×10^(-6) after tapping.For low sulfur killed steel,the nitrogen absorption ratio and sulfur content satisfied a linear relationship with a slope of-0.007.Low free-oxygen and sulfur were beneficial to the deep desulfurization during vacuum treatment.The contradiction of high desulfurization ratio and low nitrogen pick-up during LF process could be resolved by skimming oxidizing slag after tapping and making new high basicity top slag.After optimization,the average content of nitrogen in final product decreased from 46×10(-6)to 35×10(-6).
基金financially supported by the National Key Research and Development Program of China(No.2020YFB2008600)the financial support from China Scholarship Council(CSC)。
文摘To obtain environmentally friendly,integrated and miniaturized gas sensors for the increasing request for the Internet of Things industry and other relative areas,the ultra-thin CoO_(x)/Zn O heterogeneous film with active interfacial sites was in-situ deposited on micro-electro-mechanical systems(MEMS)as H_(2)S sensor.Atomic layer deposition(ALD)was employed to in-situ fabricate the uniform Zn O thin film.ALD CoO_(x)was deposited on ZnO surface to obtain CoO_(x)/Zn O heterojunction and active interfacial sites.The ultra-thin film(20 nm)with 50 ALD Co O_(x)decorated on 250 ALD Zn O displays excellent sensing performance,including very high response(4.45@200×10^(-9))and selectivity to H_(2)S with a limit of detection(LOD)of 0.38×10^(-9),long-term sensing stability,high response/recovery performance(7.5 s/15.7 s)and mechanical strength at 230。C.Reasons for the high sensing performance of CoO_(x)/Zn O have been confirmed by series of characterizations and density functional theory(DFT)calculation.Heterojunction film thickness with Debye length,the oxygen vacancies and the synergistic effect of active interfacial sites are main reasons for the high sensing performance.The strategy by fabrication of CoO_(x)/Zn O heterogeneous film within Debye length and employing synergistic effect of active interfacial sites offers a promising route for the design of environmentally friendly gas sensors.Furthermore,the ALD technique offers a facile in-situ strategy and high-throughput fabrication of MEMS gas sensors.
基金the National Natural Science Foundation of China(Nos.21677055 and 21407052)National Key Research and Development Program of China(No.2019YFC1805204)+1 种基金Project of Three Gorges Corporation(No.JDZC-FW-20-001)the Fundamental Research Funds for the Central Universities,HUST(No.2017KFXKJC004)。
文摘This study demonstrated that as-synthesized nano Fe/Cu bimetals could achieve significant enhancement in the degradation of diclofenac(DCF),as compared to much slow removal of DCF by Cu(Ⅱ) or zero valent iron nanoparticles(nZVI),respectively.Further observations on the evolution of O_(2) activation process by nano Fe/Cu bimetals was conducted stretching to the preparation phase(started by nZVI/Cu2+).Interesting breakpoints we re observed with obvious sudden increase in the DCF degradation efficiency and decrease in solution pH,as the original nZVI just consumed up to Fe(Ⅱ) and Cu(II) appeared again.It suggested that the four-electrons reaction of O_(2) and Cu-deposited nZVI would occur to generate water prior to the breakpoints,while Cu(0) and Fe(Ⅱ) would play most important role in activation of O_(2) afterwards.Through the electron spin resonance(ESR) analysis and quenching experiments.·OH was identified as the responsible reactive species.Further time-dependent quantifications in the cases of Cu(0)/Fe(Ⅱ) systems we re carried out.It was found that the ’OH accumulation was positively and linearly correlated with nCu dose,Fe(Ⅱ) consumption,and Fe(II) dose,respectively.Since either Cu(O) or Fe(Ⅱ)would be inefficient in activating oxygen to produce ·OH,a stage-evolution mechanism of O_(2) activated by nano Fe/Cu bimetals was proposed involving:(a) Rapid consumption of Fe(0) and release of Fe(Ⅱ) based on the Cu-Fe galvanic corrosion,(b) adsorption and transformation of O_(2) to O_(2)2 at the nCu surface,and(c) Fe(Ⅱ)-catalyzed activation of the adsorbed O_(2)2 to ·OH.