Crown peptide is a kind of special conformation found on the homodetic cyclopeptide, regular array about the main chain containing imido groups, and the monolithic conformation presents coronary analogy to crown ether...Crown peptide is a kind of special conformation found on the homodetic cyclopeptide, regular array about the main chain containing imido groups, and the monolithic conformation presents coronary analogy to crown ether. There are high symmetrical ionophores belonging to Cn point group. The channels or apertures can form easily for recognizing certain ion or molecular, and also the function of intending dual-recognition and the ability for transporting as ionophores can be possessed. Under the method of density functional theory, the geometry structures, values energy and population analysis of the combo of crown tetraalanylpeptide （C4-Ala） with NO3- and SO4/2- are calculated, based on the foundation of former studies. Compared with the structure of C4-AIa without NO3- and SO4/2- it is found that the coronary shape changes little in the complex of C4-Ala-YOm/n-, and the electrons transfer between C4-AIa and YOm/n- at the mean time. There are hydrogen bond between oxygen of YOm/n- and the hydrogen from imine groups of C4-AIa, and they become weaker when the average charge density lessens.展开更多
NO3- and HSO3- induced corrosion of simulated archaeological iron in humid-acid atmosphere was studied by using periodic wet-dry tests. Surface tension tests, electrochemical impedance measurement, stereoscopic micros...NO3- and HSO3- induced corrosion of simulated archaeological iron in humid-acid atmosphere was studied by using periodic wet-dry tests. Surface tension tests, electrochemical impedance measurement, stereoscopic microscopy and energy dispersive atomic X-ray analysis (EDAX) were used to investigate the corrosion processes and products. The results of mass loss measurement showed that the corrosion kinetics can be approximately described by △W - AtB. With the addition of NO3-, the value of B increases. NO3- acts as an inhibitor in the HSO3- bearing pollutant during the corrosion process. Both the electrochemical impedance measurement and surface tension test confirmed the result of mass loss measurement. In addition, we found that the attack of anions to the metal at the initial corrosion stage was in good agreement with their surface activity.展开更多
文摘Crown peptide is a kind of special conformation found on the homodetic cyclopeptide, regular array about the main chain containing imido groups, and the monolithic conformation presents coronary analogy to crown ether. There are high symmetrical ionophores belonging to Cn point group. The channels or apertures can form easily for recognizing certain ion or molecular, and also the function of intending dual-recognition and the ability for transporting as ionophores can be possessed. Under the method of density functional theory, the geometry structures, values energy and population analysis of the combo of crown tetraalanylpeptide （C4-Ala） with NO3- and SO4/2- are calculated, based on the foundation of former studies. Compared with the structure of C4-AIa without NO3- and SO4/2- it is found that the coronary shape changes little in the complex of C4-Ala-YOm/n-, and the electrons transfer between C4-AIa and YOm/n- at the mean time. There are hydrogen bond between oxygen of YOm/n- and the hydrogen from imine groups of C4-AIa, and they become weaker when the average charge density lessens.
基金Supported by the National Key Technologies R&D Program of the tenth 5-year Plan Period(No.2001BA805B01) .
文摘NO3- and HSO3- induced corrosion of simulated archaeological iron in humid-acid atmosphere was studied by using periodic wet-dry tests. Surface tension tests, electrochemical impedance measurement, stereoscopic microscopy and energy dispersive atomic X-ray analysis (EDAX) were used to investigate the corrosion processes and products. The results of mass loss measurement showed that the corrosion kinetics can be approximately described by △W - AtB. With the addition of NO3-, the value of B increases. NO3- acts as an inhibitor in the HSO3- bearing pollutant during the corrosion process. Both the electrochemical impedance measurement and surface tension test confirmed the result of mass loss measurement. In addition, we found that the attack of anions to the metal at the initial corrosion stage was in good agreement with their surface activity.
