Density functional theory (DFT) was used to calculate molecular descriptors (properties) for 12 fluoro-quinolone with anti-S.pneumoniae activity. Principal component analysis (PCA) and hierarchical cluster analy...Density functional theory (DFT) was used to calculate molecular descriptors (properties) for 12 fluoro-quinolone with anti-S.pneumoniae activity. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were employed to reduce dimensionality and investigate in which variables should be more effective for classifying fluoroquinolones according to their degree of an-S.pneumoniae activity. The PCA results showed that the variables ELUMO, Q3, Q5, QA, logP, MR, VOL and △EHL of these compounds were responsible for the anti-S.pneumoniae activity. The HCA results were similar to those obtained with PCA.The methodologies of PCA and HCA provide a reliable rule for classifying new fluoroquinolones with antiS.pneumoniae activity. By using the chemometric results, 6 synthetic compounds were analyzed through the PCA and HCA and two of them are proposed as active molecules with anti-S.pneumoniae, which is consistent with the results of clinic experiments.展开更多
The potentiostatic electrodeposition of Zn-Ni-Mn was carried out in an alkaline solution with the addition of Mn salt.The effects of electrolyte Mn2+concentration and deposition potential on the surface morphology,pha...The potentiostatic electrodeposition of Zn-Ni-Mn was carried out in an alkaline solution with the addition of Mn salt.The effects of electrolyte Mn2+concentration and deposition potential on the surface morphology,phase structure and corrosion behavior of coatings were studied.The results of corrosion polarization showed that the presence of higher Mn content in Zn-Ni-Mn coatings could lead to the formation of a good passive layer with a 7-fold increase in Rp of coating and a significant decrease in the corrosion current density compared to those of Zn-Ni coating.The XRD and the XPS analyses from the surface of Zn-Ni-Mn after corrosion test showed that the passive layer was composed of zinc hydroxide chloride,zinc oxide,zinc hydroxide carbonate,and manganese oxides.展开更多
The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separa...The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separation process were studied using X-ray and laser diffraction methods. The results revealed the relationship between variations in the mean particle size of activated powders and the milling time. The crystallite size, microstrain, lattice parameters and unit cell volumes were determined for different milling times in powder samples of quartz, hematite, dolomite, and magnetite from the beneficiation tailings. The main trends in the variation of the crystallite size of quartz, hematite, dolomite, and magnetite as a function mean particle size of powder samples were revealed. Changes in the particle shape as a function of the activation time was also investigated.展开更多
How to keep cloud data intact and available to users is a problem to be solved. Authenticated skip list is an important data structure used in cloud data integrity verification. How to get the membership proof of the ...How to keep cloud data intact and available to users is a problem to be solved. Authenticated skip list is an important data structure used in cloud data integrity verification. How to get the membership proof of the element in authenticated skip list efficiently is an important part of authentication. Kaouthar Blibech and Alban Gabillon proposed a head proof and a tail proof algorithms for the membership proof of elements in the authenticated skip list. However, the proposed algorithms are uncorrelated each other and need plateau function. We propose a new algorithm for computing the membership proof for elements in the authenticated skip list by using two stacks, one is for storing traversal chain of leaf node, the other is for storing authentication path for the leaf. The proposed algorithm is simple and effective without needing plateau function. It can also be applicable for other similar binary hash trees.展开更多
In the present study,we aimed to investigate the chemical constituents and analgesic activity of Aconitum kusnezoffii Reichb. The isolation and purification of components were achieved by a series of chromatography, i...In the present study,we aimed to investigate the chemical constituents and analgesic activity of Aconitum kusnezoffii Reichb. The isolation and purification of components were achieved by a series of chromatography, including silica gel, Sephadex LH-20 and HPLC. By using spectroscopic analysis, their structures were identified. Using PDE-4A as analgesic target, moleculardocking was conducted between isolated compounds by using Schrodinger software. Neoline is a typical non-ester diterpene alkaloid. It was studied by using the mouse torsion body method and hot plate method. A total of 12 diterpene alkaloids were obtainedand identified as Mesaconitine(1), Bewutine (2), Bewudine (3), Songoramine (4), Songorine (5), Neoline (6), Talasamine (7), isotalatizidine (8), Hokbusine A (9), Mesaconine (10), 8-OEt-14-benzoylmesaconine (11), 8-Methoxy-14-benzoyl-beiwutinine (12).Compounds 9 and 12 were isolated from Aconitum kusnezoffii Reichb. for the first time. Twelve diterpenealkaloids could act on the analgesic target. Neoline is a typical non-ester diterpene alkaloid. It had significant analgesic effect. Diterpene alkaloids were the main components of Aconitum kusnezoffiiReichb., and they had good analgesic activity.展开更多
On the basis of the proposed structures of jiangrines C and D, a synthetic strategy was initiated from D-glyceraldehyde acetonide,a readily available chiral material. Through a linear seven-step synthesis, the target ...On the basis of the proposed structures of jiangrines C and D, a synthetic strategy was initiated from D-glyceraldehyde acetonide,a readily available chiral material. Through a linear seven-step synthesis, the target molecules were accomplished. However, all characteristic data of the synthetic 3 and 4 were found to be different from those of natural jiangrines C and D. Accordingly, the molecular structures of jiangrines should be revised and a possible molecular skeleton for them was proposed.展开更多
Carbohydrates constitute the most abundant organic matter in nature, serving as structural components and energy sources, and mediating a wide range of cellular activities. The emergence of nanomaterials with distinct...Carbohydrates constitute the most abundant organic matter in nature, serving as structural components and energy sources, and mediating a wide range of cellular activities. The emergence of nanomaterials with distinct optical, magnetic, and electronic properties has witnessed a rapid adoption of these materials for biomedical research and applications. Nanomaterials of various shapes and sizes having large specific surface areas can be used as multivalent scaffolds to present carbohydrate ligands. The resulting glyconanomaterials effectively amplify the glycan-mediated interactions, making it possible to use these materials for sensing, imaging, diagnosis, and therapy. In this review, we summarize the synthetic strategies for the preparation of various glyconanomaterials. Examples are given where these glyconanomaterials have been used in sensing and differentiation of proteins and cells, as well as in imaging glycan-medicated cellular responses.展开更多
This paper presents an efficient time-integration method for obtaining reliable solutions to the second-order nonlinear dynamic problems in structural engineering. This method employs both the backward-acceleration di...This paper presents an efficient time-integration method for obtaining reliable solutions to the second-order nonlinear dynamic problems in structural engineering. This method employs both the backward-acceleration differentiation formula and the trapezoidal rule, resulting in a self-starting, single step, second-order accurate algorithm. With the same computational effort as the trapezoidal rule, the proposed method remains stable in large deformation and long time range solutions even when the trapezoidal rule fails. Meanwhile, the proposed method has the following characteristics: (1) it is applicable to linear as well as general nonlinear analyses; (2) it does not involve additional variables (e.g. Lagrange multipliers) and artificial parameters; (3) it is a single-solver algorithm at the discrete time points with symmetric effective stiffness matrix and effective load vectors; and (4) it is easy to implement in an existing computational software. Some numerical results indicate that the proposed method is a powerful tool with some notable features for practical nonlinear dynamic analyses.展开更多
The design and synthesis of highly active non-noble metal oxide catalysts, such as transition- and rare-earth-metal oxides, have attracted significant attention because of their high efficiency and low cost and the re...The design and synthesis of highly active non-noble metal oxide catalysts, such as transition- and rare-earth-metal oxides, have attracted significant attention because of their high efficiency and low cost and the resultant potential applications for the degradation of volatile organic compounds(VOCs). The structure-activity relationships have been well-studied and used to facilitate design of the structure and composition of highly active catalysts. Recently, non-noble metal oxides with porous structures have been used as catalysts for deep oxidation of VOCs, such as aromatic hydrocarbons, aliphatic compounds, aldehydes, and alcohols, with comparable activities to their noble metal counterparts. This review summarizes the growing literature regarding the use of porous metal oxides for the catalytic removal of VOCs, with emphasis on design of the composition and structure and typical synthetic technologies.展开更多
In this work,highly chemiluminescent magnetic mesoporous carbon with yolk-shell structure was synthesized by encapsulating N-(4-aminobutyl)-N-ethylisoluminol(ABEI)and Co^(2+)into the magnetic mesoporous carbon composi...In this work,highly chemiluminescent magnetic mesoporous carbon with yolk-shell structure was synthesized by encapsulating N-(4-aminobutyl)-N-ethylisoluminol(ABEI)and Co^(2+)into the magnetic mesoporous carbon composites(Co^(2+)-ABEI-Fe_3O_4@void@C).The synthetic Co^(2+)-ABEI-Fe_3O_4@void@C showed a good magnetic separation property,which could remove residual ABEI molecules and Co^(2+)in less than 3 min under an external magnet.Moreover,the synthetic Co^(2+)-ABEI-Fe_3O_4@void@C demonstrated good chemiluminescence(CL)property and good stability when interacted with alkaline H_2O_2solution.The CL intensity of such Co^(2+)-ABEI-Fe_3O_4@void@C was about 120 times higher than that of ABEI-Fe_3O_4@void@C.The Co^(2+)-ABEI-Fe_3O_4@void@C also exhibited good electrochemiluminescence(ECL)property in alkaline solution.The outstanding CL/ECL performance of the Co^(2+)-ABEI-Fe_3O_4@void@C was attributed to the Co^(2+)immobilized in the Co^(2+)-ABEI-Fe_3O_4@void@C,which catalyzed the decomposition of H_2O_2to generate O_2^(·-)and HO~·,expediting the CL/ECL reaction.The synthetic Co^(2+)-ABEI-Fe_3O_4@void@C may be of great application for the development of new methodologies in bioanalysis.展开更多
基金This work was supported by National Nature Science Foundation of China and China Academy of Engineering Physics (No. 10376021) Provincial National Science Foundation of He'nan (No. 2004601107).
文摘Density functional theory (DFT) was used to calculate molecular descriptors (properties) for 12 fluoro-quinolone with anti-S.pneumoniae activity. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were employed to reduce dimensionality and investigate in which variables should be more effective for classifying fluoroquinolones according to their degree of an-S.pneumoniae activity. The PCA results showed that the variables ELUMO, Q3, Q5, QA, logP, MR, VOL and △EHL of these compounds were responsible for the anti-S.pneumoniae activity. The HCA results were similar to those obtained with PCA.The methodologies of PCA and HCA provide a reliable rule for classifying new fluoroquinolones with antiS.pneumoniae activity. By using the chemometric results, 6 synthetic compounds were analyzed through the PCA and HCA and two of them are proposed as active molecules with anti-S.pneumoniae, which is consistent with the results of clinic experiments.
文摘The potentiostatic electrodeposition of Zn-Ni-Mn was carried out in an alkaline solution with the addition of Mn salt.The effects of electrolyte Mn2+concentration and deposition potential on the surface morphology,phase structure and corrosion behavior of coatings were studied.The results of corrosion polarization showed that the presence of higher Mn content in Zn-Ni-Mn coatings could lead to the formation of a good passive layer with a 7-fold increase in Rp of coating and a significant decrease in the corrosion current density compared to those of Zn-Ni coating.The XRD and the XPS analyses from the surface of Zn-Ni-Mn after corrosion test showed that the passive layer was composed of zinc hydroxide chloride,zinc oxide,zinc hydroxide carbonate,and manganese oxides.
文摘The effects of mechanical activation in a planetary mill on the structural changes and microstructural characteristics of the components of ferruginous quartzite beneficiation railings generated by wet magnetic separation process were studied using X-ray and laser diffraction methods. The results revealed the relationship between variations in the mean particle size of activated powders and the milling time. The crystallite size, microstrain, lattice parameters and unit cell volumes were determined for different milling times in powder samples of quartz, hematite, dolomite, and magnetite from the beneficiation tailings. The main trends in the variation of the crystallite size of quartz, hematite, dolomite, and magnetite as a function mean particle size of powder samples were revealed. Changes in the particle shape as a function of the activation time was also investigated.
基金partially supported by the Fundamental Research Funds for the Central Universities of China under Grant No.2015JBM034the China Scholarship Council Funds under File No.201407095023
文摘How to keep cloud data intact and available to users is a problem to be solved. Authenticated skip list is an important data structure used in cloud data integrity verification. How to get the membership proof of the element in authenticated skip list efficiently is an important part of authentication. Kaouthar Blibech and Alban Gabillon proposed a head proof and a tail proof algorithms for the membership proof of elements in the authenticated skip list. However, the proposed algorithms are uncorrelated each other and need plateau function. We propose a new algorithm for computing the membership proof for elements in the authenticated skip list by using two stacks, one is for storing traversal chain of leaf node, the other is for storing authentication path for the leaf. The proposed algorithm is simple and effective without needing plateau function. It can also be applicable for other similar binary hash trees.
基金National Natural Science Foundation of China(Grant No.30973628)the National Science and Technology Major Project of China(Grant No.SQ2018ZX090301)
文摘In the present study,we aimed to investigate the chemical constituents and analgesic activity of Aconitum kusnezoffii Reichb. The isolation and purification of components were achieved by a series of chromatography, including silica gel, Sephadex LH-20 and HPLC. By using spectroscopic analysis, their structures were identified. Using PDE-4A as analgesic target, moleculardocking was conducted between isolated compounds by using Schrodinger software. Neoline is a typical non-ester diterpene alkaloid. It was studied by using the mouse torsion body method and hot plate method. A total of 12 diterpene alkaloids were obtainedand identified as Mesaconitine(1), Bewutine (2), Bewudine (3), Songoramine (4), Songorine (5), Neoline (6), Talasamine (7), isotalatizidine (8), Hokbusine A (9), Mesaconine (10), 8-OEt-14-benzoylmesaconine (11), 8-Methoxy-14-benzoyl-beiwutinine (12).Compounds 9 and 12 were isolated from Aconitum kusnezoffii Reichb. for the first time. Twelve diterpenealkaloids could act on the analgesic target. Neoline is a typical non-ester diterpene alkaloid. It had significant analgesic effect. Diterpene alkaloids were the main components of Aconitum kusnezoffiiReichb., and they had good analgesic activity.
基金supported by the National Natural Science Foundation of China (21290180, 21322205, 21321061)the Open Fund of State Key Laboratory of Natural Medicines (SKLNMKF201601)
文摘On the basis of the proposed structures of jiangrines C and D, a synthetic strategy was initiated from D-glyceraldehyde acetonide,a readily available chiral material. Through a linear seven-step synthesis, the target molecules were accomplished. However, all characteristic data of the synthetic 3 and 4 were found to be different from those of natural jiangrines C and D. Accordingly, the molecular structures of jiangrines should be revised and a possible molecular skeleton for them was proposed.
基金The authors are grateful for financial supports from the National Institutes of Health (Nos. R01GM080295 and 2R15GM066279), the National Science Foundation (No. CHE-1112436), the University of Massachusetts Lowell, and KTH--Royal Institute of Technology, Sweden.
文摘Carbohydrates constitute the most abundant organic matter in nature, serving as structural components and energy sources, and mediating a wide range of cellular activities. The emergence of nanomaterials with distinct optical, magnetic, and electronic properties has witnessed a rapid adoption of these materials for biomedical research and applications. Nanomaterials of various shapes and sizes having large specific surface areas can be used as multivalent scaffolds to present carbohydrate ligands. The resulting glyconanomaterials effectively amplify the glycan-mediated interactions, making it possible to use these materials for sensing, imaging, diagnosis, and therapy. In this review, we summarize the synthetic strategies for the preparation of various glyconanomaterials. Examples are given where these glyconanomaterials have been used in sensing and differentiation of proteins and cells, as well as in imaging glycan-medicated cellular responses.
基金sponsored by the Scientific Foundation for Returned Oversea Scholars of China (Grant No.20101020044)the State Key Laboratory of Hydro–Science and Engineering (Grant Nos. 2008Z6 and 2009-TC-2)
文摘This paper presents an efficient time-integration method for obtaining reliable solutions to the second-order nonlinear dynamic problems in structural engineering. This method employs both the backward-acceleration differentiation formula and the trapezoidal rule, resulting in a self-starting, single step, second-order accurate algorithm. With the same computational effort as the trapezoidal rule, the proposed method remains stable in large deformation and long time range solutions even when the trapezoidal rule fails. Meanwhile, the proposed method has the following characteristics: (1) it is applicable to linear as well as general nonlinear analyses; (2) it does not involve additional variables (e.g. Lagrange multipliers) and artificial parameters; (3) it is a single-solver algorithm at the discrete time points with symmetric effective stiffness matrix and effective load vectors; and (4) it is easy to implement in an existing computational software. Some numerical results indicate that the proposed method is a powerful tool with some notable features for practical nonlinear dynamic analyses.
基金supported by the National High Technology Research and Development Program of China(2012AA062702)the strategic project of the Chinese Academy of Sciences(XDB05050000)
文摘The design and synthesis of highly active non-noble metal oxide catalysts, such as transition- and rare-earth-metal oxides, have attracted significant attention because of their high efficiency and low cost and the resultant potential applications for the degradation of volatile organic compounds(VOCs). The structure-activity relationships have been well-studied and used to facilitate design of the structure and composition of highly active catalysts. Recently, non-noble metal oxides with porous structures have been used as catalysts for deep oxidation of VOCs, such as aromatic hydrocarbons, aliphatic compounds, aldehydes, and alcohols, with comparable activities to their noble metal counterparts. This review summarizes the growing literature regarding the use of porous metal oxides for the catalytic removal of VOCs, with emphasis on design of the composition and structure and typical synthetic technologies.
基金supported by the National Natural Science Foundation of China (21475120, 21527807)the National Key Research and Development Program of China (2016YFA0201300)
文摘In this work,highly chemiluminescent magnetic mesoporous carbon with yolk-shell structure was synthesized by encapsulating N-(4-aminobutyl)-N-ethylisoluminol(ABEI)and Co^(2+)into the magnetic mesoporous carbon composites(Co^(2+)-ABEI-Fe_3O_4@void@C).The synthetic Co^(2+)-ABEI-Fe_3O_4@void@C showed a good magnetic separation property,which could remove residual ABEI molecules and Co^(2+)in less than 3 min under an external magnet.Moreover,the synthetic Co^(2+)-ABEI-Fe_3O_4@void@C demonstrated good chemiluminescence(CL)property and good stability when interacted with alkaline H_2O_2solution.The CL intensity of such Co^(2+)-ABEI-Fe_3O_4@void@C was about 120 times higher than that of ABEI-Fe_3O_4@void@C.The Co^(2+)-ABEI-Fe_3O_4@void@C also exhibited good electrochemiluminescence(ECL)property in alkaline solution.The outstanding CL/ECL performance of the Co^(2+)-ABEI-Fe_3O_4@void@C was attributed to the Co^(2+)immobilized in the Co^(2+)-ABEI-Fe_3O_4@void@C,which catalyzed the decomposition of H_2O_2to generate O_2^(·-)and HO~·,expediting the CL/ECL reaction.The synthetic Co^(2+)-ABEI-Fe_3O_4@void@C may be of great application for the development of new methodologies in bioanalysis.