The web-based RESP ESP charge DataBase (R.E.DD.B., http://q4md-forcefieldtools.org/REDDB) is a free and new source of RESP and ESP atomic charge values and force field libraries for model systems and/or small molecules. R.E.DD.B. stores highly effective and reproducible charge values and molecular structures in the Tripos mol2 file format, information about the charge derivation procedure, scri...

Multidielectric polyethylene is a material that is generally employed as insulation for  the HVDC isolations. In this paper, the influence of temperature on space charge dynamics has been studied, low-density polyethylene (LDPE) and Fluorinated Ethylene Propylene (FEP) sandwiched between two electrodes were subjected to voltage application of 5kV (14.3 kV/mm) for extended duration of time ...

Intramembrane charge movement was recorded in rat and rabbit ventricular cells using the whole-cell voltage clamp technique. Na and K currents were eliminated by using tetraethylammonium as the main cation internally and externally, and Ca channel current was blocked by Cd and La. With steps in the range of -110 to -150 used to define linear capacitance, extra charge moves during steps positive...

Remediation of Hg contaminated wastewater can be accomplished by Hg resistant Saccharomyces cerevisiaeA100. The physico-chemical mode of biosorption process is largely dependent on the charge bearing cell surface ligands. Optimum cell growth and multiplication provides the exposure of adequate amount of charged ligands on the cell surface that ultimately facilitate greater rate of biosorption o...

[1] Two warm‐season mesoscale convective systems (MCSs) were analyzed with respect to their production of transient luminous events (TLEs), mainly sprites. The 20 June 2007 symmetric MCS produced 282 observed TLEs over a 4 h period, during which the storm’s intense convection weakened and its stratiform region strengthened. TLE production corresponded well to convective intensity. The convectiv...

Objective(s) Motility plays a major role in pathogenicity of Helicobacter pylori, yet there is  scarce data regarding its chemotactic behaviour. The present study was designed to investigate the chemotactic responses of local isolates of H. pylori towards various sugars, amino acids, as well as some other chemical substances. Materials and Methods Chemotaxis was assayed by a modified Adler’s...

We show charge-state manipulation of single Au adatoms on 2-11 monolayer (ML) thick NaCl films on Cu surfaces by attaching or detaching single electrons via the tip of an atomic force microscope (AFM). Tristate charge control (neutral, negatively charged, and positively charged) is achieved. On Cu(100) and Cu(111) supports, charge tristability is achieved independently of the NaCl layer thickne...

In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...

Due to specific adsorption to variable charge soils, low molecular weight organic acids (LMWOAs) have not been sufficiently extracted, even if common extractants, such as water and 0.1 M sodium hydroxide (NaOH), were employed. In this work, the method for extracting LMWOAs in soils with 0.1 M NaOH was improved for variable charge soils; e.g. 1.0 M potassium fluoride (KF) with pH 4.0 was applied...