A discrete dodecanuclear Zr oxo cluster catalyzed the direct formation of amide bonds without need water scavenging or dry reactions conditions showcasing potential these molecular clusters to become a new class efficient catalysts.

Based on the fact the manipulation of fine nanoclusters calls for more precise modeling, the aim of this paper is to conduct an atomistic investigation for interaction analysis of particle-substrate system for pushing and positioning purposes. In the present research, 2D molecular dynamics simulations have been used to investigate such behaviors. Performing the planar simulations can provide a ...

Objective(s): Iran is considered as one of the high-prevalence areas for β-thalassemia with a rate of about 10% carrier frequency. Molecular diagnosis of the disease is performed both by direct sequencing and indirectly by the use of polymorphic markers present in the beta globin gene cluster. However, to date there is no reliable information on the application of the markers in the Iranian pop...

Background and Aims: Avian infectious bronchitis (IB) has prevalent in the most chicken farms during recent years, in spite of the IB vaccination program which has been widely performed in Iran. To better understand the molecular epidemiology of IBV in Iran, the full length sequences of S1 gene of Iranian QX IBVs were determined and phylogenetic analysis was done using some sequences of IBV. M...

Proton and deuteron transfer rates and mechanisms are studied in polar molecular nanoclusters. The cluster environment strongly influences the reaction rate and the nature of these changes is studied as a function of the cluster size. The stabilities of the covalent reactant and polar product states change with cluster size and this effect alters both the equilibrium properties and transfer rat...

The palladium oxide cluster Pd(6)O(4)(+) is formed as the sole product upon reaction of a bare palladium cluster Pd(6)(+) with molecular oxygen in an octopole ion trap under multicollision conditions. This oxide cluster is found to be resistant to further oxidation over a large temperature range, and further O(2) molecules merely physisorb on it at cryogenic temperatures. The particular stabili...

Boron nitride (BN) nanomaterials were synthesized from LaB6 and Pd/boron powder, and the hydrogen storage was investigated by differential thermogravimetric analysis, which showed possibility of hydrogen storage of 1–3 wt%. The hydrogen gas storage in BN and carbon (C) clusters was also investigated by molecular orbital calculations, which indicated possible hydrogen storage of 6.5 and 4.9 wt%,...

Ten patients with thalassemia intermedia with variable severity and apparent simple heterozygosis for beta0 39 C>T nonsense mutation were submitted to clinical, hematologic and molecular studies. The presence of an unknown molecular defect (silent beta-thalassemia) unlinked to the beta cluster interacting with the heterozygous beta thalassemia, was previously postulated in these families. Analy...

Using molecular dynamics computer simulation it has been shown how a large cluster such as fullerene can create an acoustic wave with sufficient energy to gently eject molecules which have been adsorbed to a surface. In a preliminary study we demonstrated how this acoustic wave can be engineered to increase in power by using a larger cluster. It is shown that ejection/ desorption of adsorbate m...