Autor: He, Kun - Prolib Integro

Skocz do pozycji: 1.

Tytuł:: Determination of the binding mechanism of cobalt(II) meso-tetraphenyl porphyrin with plant-esterase
Autorzy:: Liu, Zishan
Dong, Liang
Li, Feifeng
Hou, Changjun
He, Kun
Huo, Danqun
Tematy:: plant-esterasete
traphenyl metal porphyrin
binding mechanism; Pokaż więcej
Wydawca:: Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Powiązania:: https://bibliotekanauki.pl/articles/1849327.pdf Link otwiera się w nowym oknie
Opis:: Plant-esterase (EC 3.1.1.X) has received much attention because plant esterase and acetylcholinesterase (AChE) share a similar sensitivity towards organophosphorus (OP) pesticides detection with the same inhibition mechanism. To improve the analytical performance, tetraphenyl metal porphyrin, as an indicator was introduced to combine with plant-esterase. The time of reach equilibrium in PBS solution was shortened after adding plant-esterase by assaying the intensify change of the porphyrin spectrum. Meanwhile, intensify of porphyrin spectrum with plant-esterase was increased compared with that of only the porphyrin spectrum in solution. Tetraphenyl metal porphyrin, such as cobalt(II) meso-tetraphenyl porphyrin, is a mixed reversible inhibitor of plant-esterase from kinetic parameters. The combination ratio of plant-esterase and porphyrin is 2:1. On the other hand, the interaction between CoTPPCl and plant-esterase is the strongest among all tested tetraphenyl metal porphyrin. And the mixed system (CoTPPCl-plant-esterase) showed the best sensitivity towards the tested pesticide. All these results indicated that a complex system composed of tetraphenyl metal porphyrin and plant-esterase was fit for detecting pesticides. They make meaningful guidance on the further design of sensing material in monitoring pesticides.
Dostawca treści:: Biblioteka Nauki

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Skocz do pozycji: 2.

Tytuł:: First-principles calculations of electronic structure of rhodochrosite with impurity
Autorzy:: He, Guichun
Li, Kun
Guo, Tengbo
Li, Shaoping
Huang, Chaojun
Zeng, Qinghua
Tematy:: rhodochrosite
first principles calculations
electronic structure
density of states; Pokaż więcej
Wydawca:: Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Powiązania:: https://bibliotekanauki.pl/articles/1449610.pdf Link otwiera się w nowym oknie
Opis:: The electronic structure of rhodochrosite containing impurity defects is studied by using the first principles density functional theory. The energy band structure, density of states and electronic distribution are calculated for rhodochrosite crystal models with various impurities (e.g., Cu, Ca, Mg, Zn, Fe). This paper discusses the effects of such defects on the electronic structure of rhodochrosite. The calculation results show that the impurity defects have a great impact on the surface electrical properties of rhodochrosite. For example, Ca and Mg impurities reduce the semiconductor width of rhodochrosite. Both Ca and Mg atoms in orbital bonding act as electron donors in which Ca3p and Mg2p orbits provide electrons while O2p orbits receive electrons. Moreover, the more number of valence electrons of Mn is the weaker covalent interaction between Mn and O atoms will be. Meanwhile, decrease of the total energy of rhodochrosite, makes the structure more stable. When Fe, Zn and Cu impurities are contained, the forbidden gap becomes narrower, which improves the conductivity of rhodochrosite. In addition, impurity bands will be formed in the 3d orbits of rhodochrosite as shown in its density of states, and the number of electrons in 3d orbits will increase. This weakens the covalence of O atoms, decreases the population values of O-Mn, increases the bond length, and enhances the ionicity of O-Mn bonds. The impurity of all defects considered in this study have shown an improved conductivity of rhodochrosite, and increased hole concentration of Mn atoms, which will be of great benefit to the adsorption of anionic collectors and enhance the electrochemical properties for rhodochrosite flotation process.
Dostawca treści:: Biblioteka Nauki

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