Nonlocal beam theory for nonlinear vibrations of embedded multiwalled carbon nanotubes in thermal environment

A nonlocal elastic beam model is developed to investigate the small scale effects on the large-amplitude vibration analysis of embedded multiwalled carbon nanotubes (MWCNTs) at an elevated temperature. The nested slender nanotubes are coupled with each other through the van der Waals (vdW) interlayer interaction. The curvature-dependent vdW force employed incorporates not only pairwise nearest-neighbor but also nonneighbor interactions between nested nanotubes. The incremental harmonic balance method is adopted to analytically solve the nonlinear equations that are governed by the vibrations of nested nanotubes. The influences of small scale parameter, geometrical parameters, temperature rise, and the elastic medium are fully examined.     

Efficient synthesis of multiply substituted furans using BF@Propyl/dopamine/Pd as a green catalyst

One of the commonly used methods to synthesize furans is the three-component reaction among aromatic aldehyde, arylamine, and acetylenedicarboxylate. The main advantages of this work are easy reaction work-up, short reaction time, high yield and easy recyclability, reusability of the catalyst. And also basalt fiber applications are surely innovative in many industrial and economic fields, because of its good mechanical, chemical and thermal performances.     

Mo (CO)6‐assisted Pd‐supported magnetic graphene oxide‐catalyzed carbonylation‐cyclization as an efficient way for the synthesis of 4(3H)‐quinazolinones

In this paper, a novel catalyst is introduced based on the immobilization of palladium on modified magnetic graphene oxide nanoparticles. The catalyst is characterized by several methods, including transmission electron microscopy, scanning electron microscopy, X‐ray fluorescence, vibrating‐sample magnetometer, Fourier transform‐infrared and dynamic light scattering (DLS) analysis. The activity of the catalyst was investigated in the synthesis of 4(3H)‐quinazolinones via Pd‐catalyzed carbonylation‐cyclization of N‐(2‐bromoaryl) benzimidamides by Mo (CO)₆. The Mo (CO)₆ is used as a carbon monoxide source for performing the reaction under mild conditions. The catalyst showed good reusability, and no change in activity was observed after 10 cycles of recovery.     

Decorations of graphene oxide with cisplatin toward investigation of fluorescence quencher on regulatory sequence of BRCA1 and BRCA2

Journal of the Iranian Chemical Society - Herein, we investigated the interaction of cisplatin loaded on GO (GO@CDDP) with two regulatory sequences, BRCA1 and BRCA2, synthesized from ssDNA based on...     

Integrating Rigidity Analysis into the Exploration of Protein Conformational Pathways Using RRT* and MC

To understand how proteins function on a cellular level, it is of paramount importance to understand their structures and dynamics, including the conformational changes they undergo to carry out their function. For the aforementioned reasons, the study of large conformational changes in proteins has been an interest to researchers for years. However, since some proteins experience rapid and transient conformational changes, it is hard to experimentally capture the intermediate structures. Additionally, computational brute force methods are computationally intractable, which makes it impossible to find these pathways which require a search in a high-dimensional, complex space. In our previous work, we implemented a hybrid algorithm that combines Monte-Carlo (MC) sampling and RRT*, a version of the Rapidly Exploring Random Trees (RRT) robotics-based method, to make the conformational exploration more accurate and efficient, and produce smooth conformational pathways. In this work, we integrated the rigidity analysis of proteins into our algorithm to guide the search to explore flexible regions. We demonstrate that rigidity analysis dramatically reduces the run time and accelerates convergence.