The storage capacity of hydrogen on Na-decorated born nitride nanotubes (BNNTs) is investigated by using density functional theory within Quantum Espresso and Gaussian 09. The results obtained predict that a single Na atom tends to occupy above the central region of the hexagonal rings in (5,0) and (3,3) BNNT structures with a binding energy of -2.67 and -4.28 eV/Na-atom respectively. When a si...

Almost all proteins contain charged amino acids. While the function in catalysis or binding of individual charges in the active site can often be identified, it is less clear how to assign function to charges beyond this region. Are they necessary for solubility? For reasons other than solubility? Can manipulating these charges change the properties of proteins? A combination of capillary elect...

Molecular modeling analysis of charge density and heat of fornation by PM3 method as well as C, H NMR and 2D-NMR measurements of histidine (substrate) and some of its derivatives as histidine decarboxylase inhibitors were performed. It was established that the atom, usually nitrogen, which forms internal aldimine with pyridoxal5 -phosphate (PLP), (coenzyme), has negative and almost equal ...

  Iontophoresis is one of the skin permeation enhancement methods involving the transport of drugs through the skin under the effect of electrical current. The effect of molecular charge on the iontophoretic permeation of drugs has not been completely understood yet. Therefore the effect of passive and iontophoretic permeation of L-phenylalanine at pH 3.6 (positive charge) and pH 8 (negative ch...

mFruits are second-generation monomeric red fluorescent proteins (mRFPs) that have improved brightness and photostability compared to the first-generation mRFP1. The emission and excitation maxima are distributed over the remarkably large ranges of about 550-650 and 540-590 nm, respectively; however, the variations in the spectra can be traced to a few key amino acids. Spectroscopic and atomic ...

The amino acids are ions of various charge combinations, and one can argue that historically they were the first ions for which the ongoing problem of membrane transport was presented; also that among transported ions these may undergo a highly detailed molecular recognition. Furthermore, the distribution of charge on the amino acid molecule determines by what route or routes it is conducted ac...

In one of my first papers before the National Academy of Sciences' I showed by six drawings the operation of an Ionic Centrifuge in two types of discharge. The first three are shown correctly with negatively polarized end plates and insulated cylinder. The last three are shown incorrectly with the end plates voltage marked positive. But the current shown is due to the excess of positive ions ov...

The study of the battery charge process as the only power storage agent in off-grid systems is of significant importance. The battery charge process has different modes, and the battery in these modes is dependent on the amount of charge. In order to charge the battery in off-grid systems, two charge controllers including Pulse Width Modulation (PWM) and Maximum Power Point Tracker (MPPT) are c...

Amino acid interlinked pyrene and naphthalenediimide (NDI) based novel donor-acceptor-donor (D-A-D) triads are designed to exploit their topological symmetry and complementary π-character for facile charge-transfer complexation. Consequently, free-floating high-aspect-ratio supercoiled nanofibres and hierarchical helical bundles of triads are realized by modulating the chemical functionality of...

The pore-lining amino acids of ion channel proteins reside on the interface between a polar (the pore) and a nonpolar environment (the rest of the protein). The structural dynamics of this region, which physically controls ionic flow, are essential components of channel gating. Using large-conductance, Ca(2+)-dependent K(+) (BK) channels, we devised a systematic charge-substitution method to pr...