A density functional study of the high-pressure chemistry of MSiN(2)(M = Be, Mg, Ca): prediction of high-pressure phases and examination of pressure-induced decomposition.
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A density functional study of the high-pressure chemistry of MSiN(2)(M = Be, Mg, Ca): prediction of high-pressure phases and examination of pressure-induced decomposition.
Modification normal pressure and high pressure phase of nitridosilicates tentative new engine (2) with M = Be, Mg, Ca or have been thoroughly studied by the density functional method. At ambient pressure, besin (2) and MgSiN (2) shows an ordered hexagonal variant derived from β-cristobalite ideal filled by C1-type distortion.
At ambient pressure, Casin structure (2) can also be derived from β-cristobalite ideal filled by various types of distortion (D1-type). energy calculations reveal the volume for the third compound transition into the superstructure NaCl under pressure, affording sixfold coordination for Si. At 76 GPa besin (2) forming LiFeO (2) -type structure, according to the ambient-pressure stable modification LiFeO (2), while MgSiN (2) and Casin (2) adopt LiFeO (2) -type structure, in accordance with modifications metastable (24 and 60 GPa, respectively).
For both besin (2) and Casin (2) intermediate phases appear (for besin (2) chalcopyrite-type structure and for Casin (2) -type structure CaGeN (2)). Both medium-tetragonal structure closely related, differing mainly in their c / a ratio. As a result, the structure of chalcopyrite-type shows tetrahedral coordination for the second cation (M and Si), whereas in CaGeN (2) -type structure of the cation is tetrahedrally (Si) and one bisdisphenoidally (M) coordinated. Both types of structures, chalcopyrite and CaGeN (2), can also be derived from β-cristobalite ideal filled through the B1-type distortion.
Group-subgroup relations besin (2) / MgSiN (2), Casin (2), chalcopyrite, the CaGeN (2) and β-cristobalite structure ideal filling is discussed and illustrated displacive phase transformation path. Zero-pressure bulk modulus is calculated for all phases and have been found to be comparable with compounds such as α- Si (3) N (4), Cairo (3) and Al (4) C (3). In addition, the thermodynamic stability of gasoline (2), MgSiN (2) and Casin (2) of the nitride phase binary blob M (3) N (2) and Si (3) N (4) under pressure checked.
A density functional study of the high-pressure chemistry of MSiN(2)(M = Be, Mg, Ca): prediction of high-pressure phases and examination of pressure-induced decomposition.
A first-principles analysis on phase stability, chemical bonding and the band gap of the hexagonal structure of A (x) Zn (1-x) O alloy (A = Ca, Cd, Mg).
The phase stability and structural properties and electronic three alloy systems of the zinc oxide-based (Ca (x) Zn (1-x) O, Cd (x) Zn (1-x) O and Mg (x) Zn (1-x) O) was studied by first-principles methods. We checked all the configuration of the alloy in three (structure 1 × 1 × 2 B1 phase, the structure of 2 × 2 × 1 and 2 × 1 × 2 stages B4) 16-atom supercells and take advantage of the symmetry of the bulk material to reduce the number of calculations.
Taking into account the contribution of the statistics alloys, we have drawn the phase stability region for Ca (x) Zn (1-x) O (0.25 <x <0.375), Mg (x) Zn (1-x) O (0.375 <x <0.5) and Cd (x) Zn (1-x) O (0.75 <x <0.875). We also have analyzed the lattice constants (a and c), the structural parameters u and the bond length in the hexagonal phase.
Description: A polyclonal antibody against Ace. Recognizes Ace from Rat. This antibody is Unconjugated. Tested in the following application: ELISA, IHC; Recommended dilution: IHC:1:200-1:500
Description: A polyclonal antibody against ACE. Recognizes ACE from Human, Mouse, Rat. This antibody is Unconjugated. Tested in the following application: ELISA, WB, IHC;ELISA:1:1000-1:2000, WB:1:200-1:1000, IHC:1:50-1:200
Description: A polyclonal antibody against ACE. Recognizes ACE from Human, Mouse, Rat. This antibody is Unconjugated. Tested in the following application: ELISA, WB, IHC;ELISA:1:2000-1:5000, WB:1:200-1:1000, IHC:1:100-1:300
Description: A polyclonal antibody against ACE. Recognizes ACE from Human, Mouse, Rat. This antibody is Unconjugated. Tested in the following application: WB, IHC, ELISA;WB:1/500-1/2000.IHC:1/100-1/300.ELISA:1/10000
Description: A polyclonal antibody against ACE. Recognizes ACE from Human, Mouse. This antibody is Unconjugated. Tested in the following application: IHC, ELISA;IHC-p:1:50-300, ELISA:1:10000-20000
Description: A polyclonal antibody against ACE. Recognizes ACE from Human, Mouse, Rat. This antibody is Unconjugated. Tested in the following application: ELISA, WB;ELISA:1:2000-1:10000, WB:1:1000-1:5000
Description: A polyclonal antibody against ACE. Recognizes ACE from Human, Mouse, Rat. This antibody is Unconjugated. Tested in the following application: ELISA, WB;ELISA:1:2000-1:10000, WB:1:1000-1:5000
Description: Angiotensin-Converting Enzyme 2 (ACE-2) is an integral membrane protein and a zinc metalloprotease of the ACE family which includes somatic and germinal ACE. ACE-2 cleaves angiotensins I and II as a carboxypeptidase and converts angiotensin I to angiotensin 1-9, and angiotensin II to angiotensin 1-7. ACE-2 is also able to hydrolyze apelin-13 and dynorphin-13 with high efficiency. ACE-2 can be highly expressed in testis, kidney, heart, colon, small intestine and ovary at moderate levels. ACE2 is not inhibited by the classical ACE inhibitors, captopril and lisinopril and may play an important role in regulating the heart function.
Description: Angiotensin-Converting Enzyme 2 (ACE-2) is an integral membrane protein and a zinc metalloprotease of the ACE family, the ACE family includes somatic and germinal ACE. ACE-2 cleaves angiotensins I and II as a carboxypeptidase, ACE-2 converts angiotensin I to angiotensin 1-9, and angiotensin II to angiotensin 1-7. ACE-2 is also able to hydrolyze apelin-13 and dynorphin-13 with high efficiency. ACE-2 can be high expressed in testis, kidney and heart, in colon, small intestine and ovary at moderate levels. Captopril and lisinopril as the classical ACE inhibitor don’t inhibit ACE-2 activity. ACE-2 may play an important role in regulating the heart function.
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We found that the average lattice constant of Mg (x) Zn (1-x) O and Ca (x) Zn (1-x) O does not follow the rules Vegard and is related to the level of instability of hexagonal MgO and CaO. Hexagonal CaO is unstable and turned into a hexagonal CaO on the geometry optimization. calculated band gap was found to be consistent with the experimental values for the alloys Cd (x) Zn (1-x) O and Mg (x) Zn (1-x) O. bent Parameters for alloys Mg (x) Zn (1-x ) O and Cd (x) Zn (1-x) O is estimated to 0.87 and 1.30 eV, respectively.
