Theoretical study on multi-perspective interaction analysis of ADN and ADN-HO-CHOH solutions.

Context: Revealing the mechanism of intermolecular interactions in dinitroamine ammonium (ADN)-based liquid propellants and exploring the reasons for their performance changes, multi-perspective interaction analyses of ADN and ADN-water (HO)-methanol (CHOH) solutions have been conducted via theoretical methods. The band structure, density of states (DOS), surface electrostatic potential (ESP), Hirshfeld surface, reduced density gradient (RDG), AIM topological analysis, and detonation performance were studied and the results showed that both the ADN and ADN-HO-CHOH solutions had hydrogen bonds and van der Waals interactions. By introducing the small molecules HO and CHOH, the detonation performance of the ADN-HO-CHOH solution slightly decreased, but its sensitivity also decreased.

Two new Ni and Zn metal-organic frameworks of glutarate and 1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene ligands: syntheses, structures and luminescence sensing properties.

Two new metal-organic frameworks (MOFs), namely, three-dimensional poly[diaquabis{μ-1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene}bis(μ-glutarato)dinickel(II)] monohydrate], {[Ni(CHO)(CHN)(HO)]·HO} or {[Ni(Glu)(1,4-mbix)(HO)]·HO}, (I), and two-dimensional poly[[{μ-1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene}(μ-glutarato)zinc(II)] tetrahydrate], {[Zn(CHO)(CHN)]·4HO} or {[Zn(Glu)(1,4-mbix)]·4HO} (II), have been synthesized hydrothermally using glutarate (Glu) mixed with 1,4-bis[(2-methyl-1H-imidazol-1-yl)methyl]benzene (1,4-mbix), and characterized by single-crystal X-ray diffraction, IR and UV-Vis spectroscopy, powder X-ray diffraction, and thermogravimetric and photoluminescence analyses. Ni MOF (I) shows a 4-connected 3D framework with point symbol 6, but is not a typical dia network. Zn MOF (II) displays a two-dimensional 4-sql network with one-dimensional water chains penetrating the grids along the c direction.

Metrical analysis of disc-condyle relation with different splint treatment positions in patients with TMJ disc displacement.

Objective: To evaluate the effect of bite positions characterizing different splint treatments (anterior repositioning and stabilization splints) on the disc-condyle relation in patients with TMJ disc displacement with reduction (DDwR), using magnetic resonance imaging (MRI).

Material And Methods: 37 patients, with a mean age of 18.8±4.

Maize ZmFDR3 localized in chloroplasts is involved in iron transport.

Iron is an essential nutrient for plant metabolism such that Fe-limited plants display chlorosis and suffer from reduced photosynthetic efficiency. Differential display previously identified genes whose expression was elevated in Fe-deficient maize roots. Here, we describe the functional characterization of one of the genes identified in the screen, ZmFDR3 (Zea maize Fe-deficiency-related).