This work further improves the pseudo-transient approach for Poisson Boltzmann equation (PBE) in electrostatic analysis of solvated biomolecules. The numerical solution nonlinear PBE is known to involve many difficulties, such as exponential term, strong singularity by source terms, and complex dielectric interface. Recently, a pseudo-time ghost-fluid method (GFM) has been developed [S. Ahmed U...

Abstract Different types of transport in topological semimetals probe the signatures their band topology directly. Using Landuer-Buttiker formalism, we study through a rectangular potential barrier created across junction between two multi-Weyl (MSMs). In contrast to regular Weyl semimetal with charge J = 1, MSMs are allowed have monopole charges > 1. Consequently, structures show highly ani...

Organic compounds designed to serve as stable dendrimer cores were developed. A series of aminosugar and amino polyol containing G0 dendrimers were synthesized. The reaction mixture composition was checked by MALDI TOF mass spectrometry, while that of purified products - by 1H and 13C NMR combined with 2D NMR spectroscopy as well as MALDI TOF MSMS mass spectra. Mass spectrometric fragmentation ...

Thin films of the short single DNA strand, GCAT, in which one of the bases has been removed were bombarded with 3 to 15 eV electrons. The yield functions of the H(-), O(-) and OH(-) ions desorbed from these films exhibit a broad peak near 9 eV, which is attributed to dissociative electron attachment to the basic molecules. Whereas removal of any one of the bases considerably decreases N-glycosi...

Total circulating 25-hydroxyvitamin D [25(OH)D)] has been associated with lower risk of colorectal cancer. The physiologic mechanism, however, may be more directly related to the free or bioavailable fraction of 25(OH)D, which is influenced by levels of vitamin D binding protein (VDBP). We assessed the association of prediagnosis total, free, and bioavailable 25(OH)D and VDBP with colorectal ca...

Argonaute (Ago) proteins and microRNAs (miRNAs) are central components in RNA interference, which is a key cellular mechanism for sequence-specific gene silencing. Despite intensive studies, molecular mechanisms of how Ago recognizes miRNA remain largely elusive. In this study, we propose a two-step mechanism for this molecular recognition: selective binding followed by structural re-arrangemen...