Abstract The conflict between polynitramine energetic materials’ high energy density and its safety has been a challenge in safe efficient application. GO demonstrated to be promising materials for the regulation of performance with various advanced preparation methods. However, thermal-based GO-based composites haven’t deeply investigated. In this work, GO@RDX GO@CL-20 were obtained simple sol...

Apart from a handful of proteins encoded by the mitochondrial genome, most proteins residing in this organelle are nuclear-encoded and synthesised in the cytosol. Thus, delivery of proteins to their final destination depends on a network of specialised import components that form at least four main translocation complexes. The import machinery ensures that proteins earmarked for the mitochondri...

A molecular mechanics and molecular dynamics approach was used to examine the structure of complexes formed between the d(CGCGAATTCGCG)2 duplex and netropsin, distamycin, and four carbocyclic analogues of netropsin and distamycin (1-4). The resulting structures of the ligand-DNA model complexes and their energetics were examined. It is predicted that the compounds 1-4 should have a decreased af...

Apart from a handful of proteins encoded by the mitochondrial genome, most proteins residing in this organelle are nuclear-encoded and synthesised in the cytosol. Thus, delivery of proteins to their final destination depends on a network of specialised import components that form at least four main translocation complexes. The import machinery ensures that proteins earmarked for the mitochondri...

Synthesis and characterization of metal complexes of the chiral tripyridyldiamine ligand Bn-CDPy3 (1), derived from trans-1,2-diaminocyclohexane, are described, along with theoretical studies that support the experimental data. These studies confirm that a single coordination geometry, out of five possible, is favored for octahedral complexes of the type [M(Bn-CDPy3)Cl], where M equals Co(III),...

Computational simulations of macrocycle-encapsulated single-walled carbon nanotubes (SWNTs) and C60 are reported. A molecular mechanical force field method has been used to calculate the physical properties of these complexes. The calculation shows that the macrocycle-encapsulated SWNTs and C60 are more stable than free SWNTs and C60. When macrocycles are bound to SWNTs, energetically stable we...

Energetic hot spots account for a significant portion of the total binding free energy and correlate with structurally conserved interface residues. Here, we map experimentally determined hot spots and structurally conserved residues to investigate their geometrical organization. Unfilled pockets are pockets that remain unfilled after protein-protein complexation, while complemented pockets are...

simple, cheap and green protocol for effective conversion of alcohols to corresponding carbonyl compounds in the presence of h14[nap5w30o110] and ammonium nitrate is reported. the products were characterized by ft-ir and comparison of their physical properties with those reported in the literatures. the progress of the reaction was monitored by thin layer chromatography (tlc) technique. the ali...