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At least 1,207 records · Page 67Linked to original sources
PubMed2006

Suppressing electrostatic screening in nanostructured electrode arrays.

An individual nanostructure provides very high electric field enhancement because the sharp curvature of the nanostructure tip amplifies the local electric field near the apex tip. However any practical nanostructured electrode is comprised of an ensemble (array) of nanostructures. In such systems, mutual electrostatic shielding (or screening) severely limits the maximum achievable electric field enhancement. In this paper, we discuss three approaches for suppression of shielding. These include--(1) reducing anode-to-cathode distance to less than the nanostructure-to-nanostructure spacing, (2) increasing length of selected individual nanostructures within the array, and (3) design of electrodes with multistage amplification. We show that these approaches are effective in alleviating electrostatic shielding and that the enhancement factor of the electrode array (ensemble) can be engineered to match that of the individual (isolated) nanostructure.

Computer Simulation↗
PubMedDate not supplied

Studies on small (< 300 microns) microcapsules: II--Parameters governing the production of alginate beads by high voltage electrostatic pulses.

The size of microcapsules is a critical parameter in the immunoisolation of islets of Langerhans by microencapsulation. The use of smaller capsules decreases the total implant volume and improves insulin kinetics and oxygen supply. A high voltage electrostatic pulse system was used for the production of small (< 300 microns) alginate beads, the first step of the encapsulation technique. However, islets often protruded from capsules that were too small, further emphasizing the need for a method to control bead size. A study of 7 parameters [electrostatic pulse amplitude (A), duration (D) and wavelength (lambda), pump flow rate (P), needle gauge, alginate viscosity and distance between electrodes] showed that P (r = 0.981, p = 0.003) and lambda (r = 0.988, p = 0.0002) were the principal determinants of bead size. To detect potential interactions between parameters, 270 combinations of different levels of A, D, lambda, and P were studied. A multivariate regression analysis of these data confirmed that P and lambda are the prime determinants of bead size, and showed that a 2-parameter (P, lambda) model could be used to precisely predict bead size (R2 = 0.84), while keeping the application simple. The precision of the predictive model is only slightly improved by the use of additional parameters. The reliability of the data used to elaborate this model was demonstrated (p = 0.6226) by comparing them with a second data set obtained under the same conditions. A third set of experiments confirmed the applicability of the model. This work has major implications on the preclinical application of microencapsulation since it showed that it is possible to predetermine the bead size.

Alginates↗
PubMed2003

Electrostatic potential on human leukocyte antigen: implications for putative mechanism of chronic beryllium disease.

The pathobiology of chronic beryllium disease (CBD) involves the major histocompatibility complex class II human leukocyte antigen (HLA). Although occupational exposure to beryllium is the cause of CBD, molecular epidemiologic studies suggest that specific (Italic)HLA-DPB1(/Italic) alleles may be genetic susceptibility factors. We have studied three-dimensional structural models of HLA-DP proteins encoded by these genes. The extracellular domains of HLA-DPA1*0103/B1*1701, *1901, *0201, and *0401, and HLA-DPA1*0201/B1*1701, *1901, *0201, and *0401 were modeled from the X-ray coordinates of an HLA-DR template. Using these models, the electrostatic potential at the molecular surface of each HLA-DP was calculated and compared. These comparisons identify specific characteristics in the vicinity of the antigen-binding pocket that distinguish the different HLA-DP allotypes. Differences in electrostatics originate from the shape, specific disposition, and variation in the negatively charged groups around the pocket. The more negative the pocket potential, the greater the odds of developing CBD estimated from reported epidemiologic studies. Adverse impact is caused by charged substitutions in positions 55, 56, 69, 84, and 85, namely, the exact same loci identified as genetic markers of CBD susceptibility as well as cobalt-lung hard metal disease. These findings suggest that certain substitutions may promote an involuntary cation-binding site within a putatively metal-free peptide-binding pocket and therefore change the innate specificity of antigen recognition.

Amino Acid Sequence↗
PubMed2003

Electrostatic micromachine scanning mirror for optical coherence tomography.

Compact electrostatic micromirror structures for use in the scanning arm of an optical coherence tomography (OCT) system are described. These devices consist of millimeter-scale mirrors resting upon micrometer-scale polyimide hinges that are tilted by a linear micromachine actuator, the integrated force array (IFA). The IFA is a network of deformable capacitor cells that electrostatically contract with an applied voltage. The support structures, hinges, and actuators are fabricated by photolithography from polyimide-upon-silicon wafers. These devices were inserted into the scanning arm of an experimental OCT imaging system to produce in vitro and in vivo images at frame rates of 4 to 8 Hz.

Electricity↗
PubMed2003

Biomedical applications of electrostatic layer-by-layer nano-assembly of polymers, enzymes, and nanoparticles.

The introduction of electrostatic layer-by-layer (LbL) self-assembly has shown broad biomedical applications in thin film coating, micropatterning, nanobioreactors, artificial cells, and drug delivery systems. Multiple assembly polyelectrolytes and proteins are based on electrostatic interaction between oppositely charged layers. The film architecture is precisely designed and can be controlled to 1-nm precision with a range from 5 to 1000 nm. Thin films can be deposited on any surface including many widely used biomaterials. Microencapsulation of micro/nanotemplates with multilayers enabled cell surface modification, controlled drug release, hollow shell formation, and nanobioreactors. Both in vitro and in vivo studies indicate potential applications in biology, pharmaceutics, medicine, and other biomedical areas.

Biomimetic Materials↗
PubMed2005

Role of electrostatic interaction in receptor-receptor heteromerization.

Using pull-down and mass spectrometry experiments, we have previously demonstrated that adenosine A2A-dopamine D2 receptor-receptor heteromerization depends on an electrostatic interaction between an Arg-rich epitope from the third intracellular loop of the D2 receptor (217RRRRKR222) and two adjacent Asp residues (DD401-402) or a phosphorylated Ser (pS374) residue in the carboxyl terminus of the A2A receptor. It has been demonstrated recently that a specific region in the carboxyl terminus of the dopamine D1 receptor (L387-L416) and a specific region in the carboxyl terminus of the NR1-1 subunit of the NMDA receptor (E834-S938) are involved in D1-NMDA receptor-receptor heteromerization. Careful perusal of these interacting regions shows the presence of a phosphorylated serine (pS397) and adjacent glutamates (EE404-405) in the D1 receptor, whereas NR1-1 contains three adjacent Arg residues (RRR893-896). These epitopes are highly conserved in all species, a sign that the epitopes are likely to be involved in a physiologically significant activity. If similar epitopes are found to be involved in the formation of receptor heteromers other than A2A-D2 and D1-NMDA, the epitope-epitope electrostatic interaction might represent an important general mechanism underlying receptor- receptor interactions.

Amino Acid Sequence↗
PubMed2004

Electrostatic contributions to the kinetics and thermodynamics of protein assembly.

The role of electrostatic interactions in the assembly of a native protein structure was studied using fragment complementation. Contributions of salt, pH, or surface charges to the kinetics and equilibrium of calbindin D(9k) reconstitution was measured in the presence of Ca(2+) using surface plasmon resonance and isothermal titration calorimetry. Whereas surface charge substitutions primarily affect the dissociation rate constant, the association rates are correlated with subdomain net charge in a way expected for Coulomb interactions. The affinity is reduced in all mutants, with the largest effect (260-fold) observed for the double mutant K25E+K29E. At low net charge, detailed charge distribution is important, and charges remote from the partner EF-hand have less influence than close ones. The effects of salt and pH on the reconstitution are smaller than mutational effects. The interaction between the wild-type EF-hands occurs with high affinity (K(A) = 1.3 x 10(10) M(-1); K(D) = 80 pM). The enthalpy of association is overall favorable and there appears to be a very large favorable entropic contribution from the desolvation of hydrophobic surfaces that become buried in the complex. Electrostatic interactions contribute significantly to the affinity between the subdomains, but other factors, such as hydrophobic interactions, dominate.

Calbindins↗
PubMed2004

Electrostatic mechanisms underlie neomycin block of the cardiac ryanodine receptor channel (RyR2).

Neomycin is a large, positively charged, aminoglycoside antibiotic that has previously been shown to induce a voltage-dependent substate block in the cardiac isoform of the ryanodine receptor (RyR2). It was proposed that block involved an electrostatic interaction between neomycin and putative regions of negative charge in both the cytosolic and luminal mouths of the pore. In this study, we have attempted to screen charge by increasing potassium concentration in single-channel experiments. Neomycin block is apparent at both cytosolic and luminal faces of the channel in all K+ concentrations tested and alterations in K+ concentration have no effect on the amplitudes of the neomycin-induced substates. However, the kinetics of both cytosolic and luminal block are sensitive to changes in K+ concentration. In both cases increasing the K+ concentration leads to an increase in dissociation constant (KD). Underlying these changes are marked increases in rates of dissociation (k(off)), with little change in rates of association (k(on)). The increase in k(off) is more marked at the luminal face of the channel. Changes in K+ concentration also result in alterations in the voltage dependence of block. We have interpreted these data as supporting the proposal that neomycin block of RyR2 involves electrostatic interactions with the polycation forming a poorly fitting "plug" in the mouths of the conduction pathway. These observations emphasize the usefulness of neomycin as a probe for regions of charge in both the cytosolic and luminal mouths of the RyR2 pore.

Ion Channel Gating↗
PubMed2004

State-dependent changes in the electrostatic potential in the pore of a GluR channel.

The M2 loop and the M3 segment are the major pore-lining domains in the GluR channel. These domains determine ion permeation and channel block processes and are extensively involved in gating. To study the distribution of the membrane electric potential across the GluR channel pore, we recorded from alpha-amino-3-hydroxy-5-methylisoxazole-4-proprionic acid receptors containing M2 and M3 cysteine substitutions in the GluR-A subunit and measured the voltage dependence of the modification rate of these substituted cysteines by methanethiosulfonate reagents either in the presence or absence of glutamate. In the presence of glutamate, the voltage dependence became gradually stronger for positions located deeper in the pore suggesting that the electrostatic potential drops fairly uniformly across the pore in the open state. In contrast, in the absence of glutamate, the voltage dependence was biphasic. The difference in the electrostatic potential in the presence and absence of glutamate had an apparent maximum in the middle of the extracellular vestibule. We suggest that these state-dependent changes in the membrane electric potential reflect a reorientation of the dipoles of the M2 loop alpha-helices toward and away from the center of the channel pore during gating.

Amino Acid Sequence↗
PubMed2005

Electrostatic interactions between the syntaxin membrane anchor and neurotransmitter passing through the fusion pore.

Recent experiments have shown that flux through the fusion pore is sensitive to manipulations of the side-chain size of certain residues in the syntaxin (syx) membrane anchor. These residues were proposed to line the wall of the fusion pore of Ca(2+)-triggered exocytosis. Here we continued this line of experimentation to examine possible electrostatic interactions between the pore lining residues and the neurotransmitter norepinephrine (NE). Replacing syx pore-lining residues with aspartate enhanced NE flux above that expected for the size of the aspartate side chain. In contrast, substitution with arginine reduced NE flux below that expected for the size of its side chain. Substituting aspartate and arginine into the nonpore-lining residues did not alter the fusion pore flux. Other amino acids with ionizable side chains had variable effects. These results indicate an electrostatic interaction between the pore-lining residues of syx and NE, and provide additional evidence that the syx membrane anchor is a structural component of the fusion pore.

Amino Acid Substitution↗
PubMed2005

Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map.

alpha-Hemolysin of Staphylococcus aureus is a self-assembling toxin that forms a water-filled transmembrane channel upon oligomerization in a lipid membrane. Apart from being one of the best-studied toxins of bacterial origin, alpha-hemolysin is the principal component in several biotechnological applications, including systems for controlled delivery of small solutes across lipid membranes, stochastic sensors for small solutes, and an alternative to conventional technology for DNA sequencing. Through large-scale molecular dynamics simulations, we studied the permeability of the alpha-hemolysin/lipid bilayer complex for water and ions. The studied system, composed of approximately 300,000 atoms, included one copy of the protein, a patch of a DPPC lipid bilayer, and a 1 M water solution of KCl. Monitoring the fluctuations of the pore structure revealed an asymmetric, on average, cross section of the alpha-hemolysin stem. Applying external electrostatic fields produced a transmembrane ionic current; repeating simulations at several voltage biases yielded a current/voltage curve of alpha-hemolysin and a set of electrostatic potential maps. The selectivity of alpha-hemolysin to Cl(-) was found to depend on the direction and the magnitude of the applied voltage bias. The results of our simulations are in excellent quantitative agreement with available experimental data. Analyzing trajectories of all water molecule, we computed the alpha-hemolysin's osmotic permeability for water as well as its electroosmotic effect, and characterized the permeability of its seven side channels. The side channels were found to connect seven His-144 residues surrounding the stem of the protein to the bulk solution; the protonation of these residues was observed to affect the ion conductance, suggesting the seven His-144 to comprise the pH sensor that gates conductance of the alpha-hemolysin channel.

Bacterial Toxins↗
PubMed2005

Titration behavior of residues at the entrance of the D-pathway of cytochrome c oxidase from paracoccus denitrificans investigated by continuum electrostatic calculations.

Continuum electrostatic calculations were employed to investigate the titration curves of the fully oxidized state of wild type and several variants of cytochrome c oxidase from Paracoccus denitrificans (N131D, N131C, N131V, and D124N) for different values of the dielectric constant of the protein. The effects of the mutations at the entrance of the D-proton transfer pathway were found to be quite localized to their immediate surroundings. The results can be well interpreted in the light of the available biochemical and structural data and help understanding the effects of mutations on proton conductivity. The mutations of aspartic acid Asp-I-124 to a neutral residue resulted in a decreased pK(a) value of His-I-28 suggesting that the mutation of His-I-28 may have a significant influence on the coupling of electron and proton transfer in cytochrome c oxidase. We also investigated the effect of the mutations N131D, N131C, and N131V on the residue Glu-I-278 in terms of its pK(a) value and electrostatic interaction energies.

Amino Acid Substitution↗
PubMed2005

Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations.

Narrow hydrophobic regions are a common feature of biological channels, with possible roles in ion-channel gating. We study the principles that govern ion transport through narrow hydrophobic membrane pores by molecular dynamics simulation of model membranes formed of hexagonally packed carbon nanotubes. We focus on the factors that determine the energetics of ion translocation through such nonpolar nanopores and compare the resulting free-energy barriers for pores with different diameters corresponding to the gating regions in closed and open forms of potassium channels. Our model system also allows us to compare the results from molecular dynamics simulations directly to continuum electrostatics calculations. Both simulations and continuum calculations show that subnanometer wide pores pose a huge free-energy barrier for ions, but a small increase in the pore diameter to approximately 1 nm nearly eliminates that barrier. We also find that in those wider channels the ion mobility is comparable to that in the bulk phase. By calculating local electrostatic potentials, we show that the long range Coulomb interactions of ions are strongly screened in the wide water-filled channels. Whereas continuum calculations capture the overall energetics reasonably well, the local water structure, which is not accounted for in this model, leads to interesting effects such as the preference of hydrated ions to move along the pore wall rather than through the center of the pore.

Computer Simulation↗
PubMed2006

The persistence length of DNA is reached from the persistence length of its null isomer through an internal electrostatic stretching force.

To understand better the effect of electrostatics on the rigidity of the DNA double helix, we define DNA*, the null isomer of DNA, as the hypothetical structure that would result from DNA if its phosphate groups were not ionized. For the purposes of theoretical analysis, we model DNA* as identical to ordinary DNA but supplemented by a longitudinal compression force equal in magnitude but oppositely directed to the stretching (tension) force on DNA caused by phosphate-phosphate repulsions. The null isomer DNA* then becomes an elastically buckled form of fully ionized DNA. On this basis, we derive a nonadditive relationship between the persistence length P of DNA and the persistence length P* of its null isomer. From the formula obtained we can predict the value of P* if P is known, and we can predict the ionic strength dependence of P under the assumption that P* does not depend on ionic strength. We predict a value of P* for null DNA drastically lower than the value of P for DNA in its ordinary state of fully ionized phosphates. The predicted dependence of P on salt concentration is log-c over most of the concentration range, with no tendency toward a salt-independent value in the range of validity of the theory. The predictions are consistent with much of the persistence-length data available for DNA. Alternate theories of the Odijk-Skolnik-Fixman type, including one by the author, are considered skeptically on the grounds that the underlying model may not be realistic. Specifically, we doubt the accuracy for real polyelectrolytes of the Odijk-Skolnik-Fixman assumption that the polymer structure is invariant to changes in electrostatic forces.

Computer Simulation↗
PubMed2006

Electrostatic potential energy within a protein monitored by metal charge-dependent hydrogen exchange.

Hydrogen exchange measurements on Zn(II)-, Ga(III)-, and Ge(IV)-substituted Pyrococcus furiosus rubredoxin demonstrate that the log ratio of the base-catalyzed rate constants (Delta log k(ex)) varies inversely with the distance out to at least 12 A from the metal. This pattern is consistent with the variation of the amide nitrogen pK values with the metal charge-dependent changes in the electrostatic potential. Fifteen monitored amides lie within this range, providing an opportunity to assess the strength of electrostatic interactions simultaneously at numerous positions within the structure. Poisson-Boltzmann calculations predict an optimal effective internal dielectric constant of 6. The largest deviations between the experimentally estimated and the predicted DeltapK values appear to result from the conformationally mobile charged side chains of Lys-7 and Glu-48 and from differential shielding of the peptide units arising from their orientation relative to the metal site.

Biophysics↗
PubMedDate not supplied

Reducing airborne pathogens and dust in commercial hatching cabinets with an electrostatic space charge system.

Commercial hatcheries typically infuse hydrogen peroxide or formaldehyde gas into hatching cabinets to reduce airborne pathogens that may lead to disease transmission during the hatch. A nonchemical option, an electrostatic space charge system (ESCS), was customized for full-sized commercial hatching cabinets and was tested extensively in broiler hatcheries. The ESCS cleans air by transferring a strong negative electrostatic charge to dust and microorganisms that are aerosolized during the hatch and collecting the charged particles on grounded plates or surfaces. In studies with three poultry companies, the ESCS resulted in significant (P < 0.0001) reductions of airborne dust of 77%-79%, in Enterobacteriaceae and fungus levels not significantly different (P > or = 0.05) from those with formaldehyde, and in 93%-96% lower Enterobacteriaceae than with no treatment or with hydrogen peroxide treatment (P < 0.01). The ESCS significantly (P < 0.05) reduced airborne Salmonella by 33%-83% compared with no treatment or hydrogen peroxide treatment. Results of this study suggest that the ESCS is a viable alternative to chemical treatment for reducing airborne pathogens in full-sized commercial hatchers, and it also provides dust control and containment, which should be helpful in reducing cross contamination and loading of ventilation ducts within different areas of the hatchery.

Air Microbiology↗
PubMedDate not supplied

Effect of electrostatic space charge on reduction of airborne transmission of Salmonella and other bacteria in broiler breeders in production and their progeny.

Salmonella in birds is a concern because of the human foodborne illness associated with the consumption of poultry meat and eggs. One of the methods of transmission of Salmonella within a flock can be by the air. Therefore, we used reduction of transmission of Salmonella to monitor the effectiveness of the electrostatic space charge system (ESCS). During the average broiler breeder laying cycle of 40 wk, a large amount of dust becomes airborne and accumulates on walls, ceiling, and equipment. Many microorganisms adhere to these dust particles, making dust an excellent vector for horizontal disease transmission between birds. We used two environmentally controlled rooms containing commercial broiler breeders to evaluate the effectiveness of an ESCS that produced a strong negative electrostatic charge to reduce airborne dust and, subsequently, microorganism levels. The ESCS caused the dust to become negatively charged, therefore moving to the grounded floor in the treatment room. The use of the ESCS resulted in a significant reduction (P < 0.0001, 61% reduction) in airborne dust concentration levels, which resulted in a significant reduction (P < 0.0001, 76% reduction) in total airborne bacteria and gram-negative bacteria (48% reduction) in the treatment room. Significant reductions (P < 0.05) of gram-negative bacteria (63% reduction) on the egg collection belts were also recorded in the treatment room, which resulted in a significant reduction (P < 0.0001) of gram-negative bacteria (28% reduction) on the eggshell surface. The ESCS treatment resulted in fewer Salmonella enteritidis-positive hens and their progeny from the treatment room due to reductions of dust and airborne bacteria. In addition, this significant reduction in bacteria on the eggshell surface should result in less bacteria in the day-old chicks, therefore better early chick livability. There was no significant difference (P > 0.05) in egg production, male or female body weights, mortality, or reproductive performance in the ESCS room compared with the control room.

Air Microbiology↗
PubMed2003

Reactions of water-soluble alkylperoxyl radicals and superoxide with DNA, lipoproteins and phospholipid vesicles: the role played by electrostatic forces.

The role of electrostatic forces in free radical biology is very important but it is all too often overlooked. The radicals discussed in this review include positively-charged, negatively-charged and neutral water-soluble alkylperoxyls and superoxide. Important scientific insights have been gained by generating these radicals in known quantities by the thermal decomposition of simple, "clean", chemical precursors in the presence of potential bio-targets. For example, the abilities of these radicals to damage double-stranded DNA, a polyanion, are dictated by Coulombic forces with only the positively-charged peroxyls being capable of directly producing single-strand breaks. The Coulombic control of the reactions and reaction rates of water-soluble peroxyl radicals which are so evident with DNA do not manifest themselves with all electrostatically charged bio-targets, e.g., low density lipoprotein (LDL), probably because the charge on the surface of the LDL is not uniformly distributed.

DNA↗