Forensic based empirical study on ricochet behaviour of Kalashnikov bullets (7.62 mm × 39 mm) on 1 mm sheet metal

Mm Mm^ Fl

Linear preservers of Miranda-Thompson majorization on MM;N

Miranda-Thompson majorization is a group-induced cone ordering on $mathbb{R}^{n}$ induced by the group of generalized permutation with determinants equal to 1. In this paper, we generalize Miranda-Thompson majorization on the matrices. For $X$, $Yin M_{m,n}$, $X$ is said to be  Miranda-Thompson majorized by $Y$ (denoted by $Xprec_{mt}Y$) if there exists some $Din rm{Conv(G)}$ s...

Theoretical IR spectroscopy based on QM/MM

The GTPase Ras p21 is a crucial switch in cellular signal transduction. FTIR spectra of the substrate guanosine triphosphate (GTP) show remarkable changes when it binds to the enzyme. The reduced band widths indicate that the flexible GTP molecule is guided by the protein into a preferred conformation. The delocalized phosphate vibrations of unbound GTP become localized. The frequency shifts sh...

QM/MM Study on the Mechanism of Aminophenol Oxidation by Functionalized β-Cyclodextrin as Oxidase Nanomimic

In this study, functionalized β-cyclodextrin (β-CD) by aldehyde group was investigated as an oxidase enzyme mimic for the amino phenol oxidation. All calculations were performed by GAUSSIAN 09 package using two layers ONIOM method at the ONIOM (MPW1PW91/6-311++G(d,p)/UFF) level. In the first step, H2O2 is encapsulated in the hydrophobic cavity. In the second step, H2<...

A Tutorial on MM Algorithms

Most problems in frequentist statistics involve optimization of a function such as a likelihood or a sum of squares. EM algorithms are among the most effective algorithms for maximum likelihood estimation because they consistently drive the likelihood uphill by maximizing a simple surrogate function for the loglikelihood. Iterative optimization of a surrogate function as exemplified by an EM al...