Fraction Of Charge Research Articles

Organic charged polaritons in the ultrastrong coupling regime

We embedded an all-hydrocarbon-based carbocation in a metallic microcavity that was tuned to resonance with an electronic transition of the carbocation. The measured Rabi splitting was 41% of the excitation energy, putting the system well into the ultrastrong coupling regime. Importantly, due to the intrinsic charge on the carbocation, the polaritons that form carry a significant charge fraction $0.55 e_0$ and a large charge-to-mass ratio ($\sim 2400 e_0 / m_0$). Moreover, the ground state of the ultrastrongly coupled system is calculated to carry about one percent of one elementary charge, implying a potentially enhanced charge transport across the molecules. These unique properties of our system, together with its convenient preparation, provide a practical platform to study charged polaritons in the ultrastrong coupling regime.

Hydrogen ion scattering from alkali/graphene surface: Alkali core states effects

We present a theoretical study of the frontal collision of protons with a graphene surface to which an alkali-adatom is added. Na and Cs adsorbates are studied in a low coverage limit. We analyze how the presence of adsorbates affects the charge exchange when the binary collision between the H+ protons and the adatoms or different carbon atoms close to the impurity occurs. The charge transfer process in the scattering of protons in the K and C atoms of a graphene surface to which a K adatom is added has already been analyzed and discussed in our previous works. We find that the inner states of the alkali atoms adsorbed on graphene introduce important differences in the charge transfer depending on their positions with respect to the valence band of graphene. For a better grasp of this, in this work we select Cs and Na as adatoms due to Cs has core levels that can resonate with the valence band of graphene, while Na does not. The interacting system is described by the Anderson Hamiltonian which takes into account the electronic repulsion at the projectile site; the ion charge fractions after the collision are calculated by using the non-equilibrium Green-Keldysh functions formalism. Also, we describe the adsorption of the alkali atom on the surface using the single impurity Anderson model and introduce the Green's functions required to calculate the adatom spectral density. In the scattering of H+ from Cs, the charge fractions as a function of the incident energy, behave similarly to the scattering from K. For the Na adatom, the dependence is different, showing a monotonous increase in the high energy regime. The results of this work allow us to infer the signals in the charge exchange, from the localized features of the density of states on the alkaline adsorbate during the scattering process, due to the peculiarities of the electronic band structure of graphene.

Selenium species removal by nanofiltration: Determination of retention mechanisms

Selenium (Se) is a dissolved oxyanion drinking water contaminant requiring appropriate removal technologies. The removal of selenite (SeIV) and selenite (SeVI) with nanofiltration (NF) was investigated with an emphasis on the role of Se speciation and membrane charge screening on the retention mechanisms. The pH (2 to 12) showed strong pH dependence of Se retention, which was due to the speciation. No significant impact of salinity was observed by increasing NaCl concentration from 0.58 to 20 g/L. Application of the Donnan steric pore partitioning model with dielectric exclusion (DSPM-DE) showed that Donnan exclusion was the dominant retention mechanism for the oxyanions Se species. Nine different organic matter (OM) types were investigated at 10 mgC/L to determine if OM affects Se retention. Only OM characterised by negatively charged fractions, such as humic acid (HA), enhanced Se retention with NF270 of up to 20% for SeIV and 10% for SeVI. This was explained by enhanced Donnan exclusion. NF270 was effective in removing Se from real water (Gahard groundwater, Ille et Vilaine, France). The EU guideline (20 μg/L) of Se in drinking water was achieved with comparable performance to OM–free experiments using synthetic waters.

On the determination of oil charge history and the practical application of molecular maturity markers

Determining the thermal maturity and the charge history of crude oil to any reservoir, has key implications for understanding petroleum generation, accumulation history and hence identification of exploration potential. In this paper we combine studies of several source rock sequences and associated crude oils using quantitative component concentration data in addition to traditional molecular marker ratio parameter approaches. The case history studies include examination of organic-rich sapropelic marine source rocks from the Second White Speckled Shale Formation (2 WS Fm.), in the Western Canada Sedimentary Basin and the upper Jurassic Draupne Fm. in the North Sea and their related oils. Each molecular component in the petroleum has a unique concentration evolution curve during source rock maturation, in which n-alkanes, light aromatic hydrocarbons and diamondoid hydrocarbons increase in concentration with increasing maturity, while biomarkers decrease in concentration with maturity. This maturity dependent concentration variation plus the ubiquitous mixing of multiple oils in the reservoir is a key process that complicates the direct application of qualitative molecular marker ratio approaches to analysis of petroleum systems. We suggest an alternative maturity assessment approach using maturation calibrated curves of absolute concentrations of biomarkers and other alkanes in petroleum, coupled with selected aromatic hydrocarbon ratios to track the maturity/petroleum mass fraction relationships for a reservoired oil mixture in a more complex but realistic manner. Isoprenoid alkanes show less variation in concentration with maturity than other components and may be used as an internal reference point for mass fraction maturity and charge history assessment. Using component concentration data normalized to the concentration of the isoprenoid alkanes and calibrated using source rock analyses at different maturity levels from a single petroleum system (2WS), a simple mass balance model was constructed that allowed aggregate concentration data to be calculated for any mixture of oils produced in a prescribed oil charge history. In principle any charge history can be simulated using this approach and comparing the modelled and actual quantitative compositional profiles of crude oils allows differentiation of the more plausible and implausible oil charge histories for that particular reservoir. Clearly considerable refinement of this approach is needed but it appears that such a procedure has the potential, if developed further, to be a useful addition to the arsenal of petroleum geochemists and basin modelers. Knowing what a typical complete charge mass fraction maturity profile would look like for a given source rock type, enables the estimation of missing charge in the basin, allows the detection of complex multi-history charge scenarios, and provides a much more robust and complete data set for calibration of basin model charge history assessments. It also, with further development may be integrated into stochastic basin modelling approaches to study petroleum systems.

Ozonation/adsorption hybrid treatment system for improved removal of natural organic matter and organic micropollutants from water – A mini review and future perspectives

Elevated concentrations of natural organic matter (NOM) and organic micropollutants (OMPs) can contaminate the quality of drinking water, and current water treatment technologies are not always successful in removing all their constituents. Ozonation and adsorption are two advanced processes with different removal mechanisms used to treat NOM and OMPs. Their treatment efficiency depends on the strength and kinetics of adsorption and ozonation (ozone molecule and OH radical (OH•) reaction) of the individual NOM constituents and OMPs. They are individually able to remove many of the NOM fractions and OMPs but not satisfactory in removing the vast array of their components which differ in their physico-chemical characteristics, for example molecular weight, charge, functional groups, aromaticity, and hydrophobicity/hydrophilicity. Significant progress has been made by integrating these processes (ozonation followed by activated carbon (AC) adsorption) but they need further improvement to efficiently target all NOM fractions and the various OMPs. Ozonation transforms the larger NOM molecules into smaller molecular sizes with lower aromaticity and hydrophobicity, subsequently resulting in reduced adsorption. The reduced adsorption of these molecules diminishes their competition against OMP adsorption resulting in increased OMP removal. Adsorption can remove unoxidized pollutants as well as the by-products of ozonation, and some of them are suspected to be human carcinogens. Of the commonly used adsorbents, anion exchange resin and AC, the former has higher affinity towards negatively charged humic fraction and OMPs. Conversely, the latter has higher affinity towards the hydrophobic constituents and smaller sized constituents which diffuse into AC pores and get adsorbed. Biofilm formed by long-term use of AC also contributes to enhanced removal of NOM and OMPs. This paper briefly reviews the currently available literature on removing NOM and OMPs by the ozonation/adsorption integrated process. It also suggests a new method for further increasing the efficiency of this process.

Charged polytropic compact stars in [formula omitted] Einstein–Gauss–Bonnet gravity

We have investigated the possibility of existing a class of compact charged spheres made of a charged perfect fluid in the context of recently proposed 4D Einstein–Gauss–Bonnet (EGB) gravity theory. The main mechanism is to rescale the Gauss–Bonnet (GB) coupling constant α→α/(D−4) in D dimensions and redefining the 4D gravity in the limit D→4. In this way, the GB term yields a non-trivial contribution to the gravitational dynamics in 4D. Our analysis is based on the assumption of a polytropic equation of state (EoS) and the charge density is taken to be proportional to the energy density. More specifically, we have derived the hydrostatic equilibrium equations in 4D EGB, and we have solved them numerically to obtain mass–radius relations for charged compact stars. Eventually we have found the mass–radius relation depending on the values of the GB coupling constant α and the charge fraction ρch(r). In addition, we have studied the mass vs central mass density (M−εc) relation, which identifies the boundary separating the stable configuration region from the unstable one. We have also obtained a relation between the electric charge inside the stellar region and the maximum mass of compact star in this gravity theory. Finally, we conclude that in such a scenario charged stars may exist in Nature, and that such a deviation may be observable in future astrophysical probes.

Charge immobilization in two different fast-inactivation-removed Nav1.4 sodium channel mutants

Fast inactivation is a key feature of voltage-gated sodium channels and is essential for action potential kinetics and recovery. One consequence of fast inactivation is the immobilization of gating charges of domains III and IV. It has been proposed that the closure of the fast inactivation gate would impede the movement of voltage sensors. As a result, a fraction of gating charges can only return to the resting state once fast inactivation is recovered, giving rise to the charge immobilization.

Electrically charged quark stars in 4D Einstein\u2013Gauss\u2013Bonnet gravity

In this work we study the properties of compact spheres made of a charged perfect fluid with a MIT bag model EoS for quark matter. Considering static spherically symmetric spacetime we derive the hydrostatic equilibrium equations in the recently formulated four dimensional Einstein–Gauss–Bonnet (4D EGB) gravity theory. In this setting, the modified TOV equations are solved numerically with the aim to investigate the impact of electric charge on the stellar structure. A nice feature of 4D EGB theory is that the Gauss–Bonnet term has a non-vanishing contribution to the gravitational dynamics in 4D spacetime. We therefore analyse the effects of Gauss–Bonnet coupling constant alpha and the charge fraction beta on the mass–radius (M{-}R) diagram and also the mass–central density (M{-}rho _c) relation of quark stars. Finally, we conclude that depending on the choice of coupling constant one could have larger mass and radius compared with GR and can also be relevant for more massive compact objects due to the effect of the repulsive Coulomb force.

Localization in the Discrete Non-linear Schrödinger Equation and Geometric Properties of the Microcanonical Surface

It is well known that, if the initial conditions have sufficiently high energy density, the dynamics of the classical Discrete Non-Linear Schr\"odinger Equation (DNLSE) on a lattice shows a form of breaking of ergodicity, with a finite fraction of the total charge accumulating on a few sites and residing there for times that diverge quickly in the thermodynamic limit. In this paper we show that this kind of localization can be attributed to some geometric properties of the microcanonical potential energy surface, and that it can be associated to a phase transition in the lowest eigenvalue of the Laplacian on said surface. We also show that the approximation of considering the phase space motion on the potential energy surface only, with effective decoupling of the potential and kinetic partition functions, is justified in the large connectivity limit, or fully connected model. In this model we further observe a synchronization transition, with a synchronized phase at low temperatures.

2p excitation in target atoms in the interaction of slow ions with Al surfaces

This work reports on measurements of energy distribution of electrons emitted by Aluminum surfaces under the impact of singly charged noble gases and sodium ions, incident with energies up to 10 keV, focused on collisional excitation of target atoms. Analysis of the spectra give insight into several collisional excitation and charge exchange processes that occur during the cascade of atomic collisions, which are important in the understanding of charge fractions, electron emission and energy loss phenomena.

Hyperonic equation of state at finite temperature for neutron stars

We review the composition and the equation of state of the hyperonic core of neutron stars at finite temperature within a relativistic mean-field approach. We make use of the new FSU2H∗ model, which is built upon the FSU2H scheme by improving on the Ξ potential according to the recent analysis on the Ξ atoms, and we extend it to include finite temperature corrections. The calculations are done for a wide range of densities, temperatures and charge fractions, thus exploring the different conditions that can be found in protoneutron stars, binary mergers remnants and supernovae explosions. The inclusion of hyperons has a strong effect on the composition and the equation of state at finite temperature, which consequently would lead to significant changes in the properties and evolution of hot neutron stars.

Self-assembly of globular proteins with intrinsically disordered protein polyelectrolytes and block copolymers.

Intrinsically disordered polypeptides are a versatile class of materials, combining the biocompatibility of peptides with the disordered structure and diverse phase behaviors of synthetic polymers. Synthetic polyelectrolytes are capable of complex phase behavior when mixed with oppositely charged polyelectrolytes, facilitating nanoparticle formation and bulk phase separation. However, there has been limited exploration of intrinsically disordered protein polyelectrolytes as potential bio-based replacements for synthetic polyelectrolytes. Here, we produce negatively charged, intrinsically disordered polypeptides, capable of high-yield expression in E. coli and use this intrinsically disordered peptide to produce entirely protein-based polyelectrolyte complexes. The complexes display rich phase behavior, showing sensitivity to charge density, salt concentration, temperature, and charge fraction. We characterize this behavior through a combination of turbidity assays, dynamic light scattering, and transmission electron microscopy. The robust expression profile and stimuli-responsive phase behavior of the intrinsically disordered peptides demonstrates their potential as easily producible, biocompatible substitutes for synthetic polyelectrolytes.

Space Charge Characteristics for XLPE Coaxial Cable Insulation under Electro-Thermal Accelerated Aging

The electrothermal synergistic aging effect on a cross-linked polyethylene (XLPE) cable system can cause strong deterioration of the cable insulation over prolonged service conditions. It is widely accepted that space charge can be the cause and the effect of aging of XLPE insulation under dc stresses. Until now, reports on the correlation between space charge characteristics and the aging effect mainly focus on the XLPE flat samples, and an insight into this correlation for XLPE coaxial cables is still scarce. In this article, space charge in XLPE coaxial cables with different aging durations was measured under polarization and depolarization conditions. The influences of cable coaxial structure and insulation thickness were analyzed. The mobility and trap density were extracted with the depolarization charge profiles. The results show that heterocharge, trap-controlled mobility and shallow trap first increase (0–30 days) and then decrease (30–90 days) with the aging time, while the deep trap increases from 30 to 90 days aging, and for the thicker coaxial cable insulation, due to more deep traps blocking charge migration and extraction, a fraction of residual charge retains near the outer semiconductor after depolarization. In addition, the residual charge density increases with aging time. These phenomena have significant impacts on long-term cable operations and should attract more attentions. The space charge characteristics in coaxial XLPE cable during aging are likely to invoke a modification of the life model for a real cable.

ДИНАМИКА АРГ-Х ПРОТЕАЗОАКТИВНОСТИ В ПОЛОЖИТЕЛЬНО ЗАРЯЖЕННЫХ ФРАКЦИЯХ БЕЛКОВ В ПРОЦЕССЕ РОСТА КУЛЬТУРЫ ESCHERICHIA COLI

Recent advances have shown that proteolysis is required in biological systems not only to remove misfolded or damaged proteins in a nonspecific manner, but also as a modulator of regulatory pathways. In this work, an attempt was made to determine the spatial and temporal localization of Arg-X protease activity in positively charged protein fractions during the change in the growth phases of the batch culture of Escherichia coli. It was found that the distribution of proteins with Arg-X proteinase activity in a bacterial cell depends on the change in growth phases. In addition, "acidic" proteins with Arg-X proteinase activity were mainly detected in bacterioplasma and in the fraction of proteins loosely bound to the cellular residue during the exponential growth phase, while in the basic proteins, Arg-X proteolytic activity was detected in fractions loosely and strongly bound with the cellular residue and in the cellular residue itself in the growth deceleration phase. From which it can be assumed that Arg-X proteases are involved in the processes of nucleoid reorganization, modifying the proteins involved in its compaction. The results obtained can be considered as one of the illustrations of the complex multilevel regulatory networks of proteinases in a bacterial cell, which can participate in the proteolytic processing of histone-like proteins, thereby participating in spatiotemporal structural changes in the states of the nucleoid during the growth of a batch culture.

Computational modeling of mitochondrial K+- and H+-driven ATP synthesis

ATP synthase (F1Fo) is a rotary molecular engine that harnesses energy from electrochemical-gradients across the inner mitochondrial membrane for ATP synthesis. Despite the accepted tenet that F1Fo transports exclusively H+, our laboratory has demonstrated that, in addition to H+, F1Fo ATP synthase transports a significant fraction of ΔΨm-driven charge as K+ to synthesize ATP. Herein, we utilize a computational modeling approach as a proof of principle of the feasibility of the core mechanism underlying the enhanced ATP synthesis, and to explore its bioenergetic consequences. A minimal model comprising the ‘core’ mechanism constituted by ATP synthase, driven by both proton (PMF) and potassium motive force (KMF), respiratory chain, adenine nucleotide translocator, Pi carrier, and K+/H+ exchanger (KHEmito) was able to simulate enhanced ATP synthesis and respiratory fluxes determined experimentally with isolated heart mitochondria. This capacity of F1Fo ATP synthase confers mitochondria with a significant energetic advantage compared to K+ transport through a channel not linked to oxidative phosphorylation (OxPhos). The K+-cycling mechanism requires a KHEmito that exchanges matrix K+ for intermembrane space H+, leaving PMF as the overall driving energy of OxPhos, in full agreement with the standard chemiosmotic mechanism. Experimental data of state 4➔3 energetic transitions, mimicking low to high energy demand, could be reproduced by an integrated computational model of mitochondrial function that incorporates the ‘core’ mechanism. Model simulations display similar behavior compared to the experimentally observed changes in ΔΨm, mitochondrial K+ uptake, matrix volume, respiration, and ATP synthesis during the energetic transitions at physiological pH and K+ concentration. The model also explores the role played by KHEmito in modulating the energetic performance of mitochondria. The results obtained support the available experimental evidence on ATP synthesis driven by K+ and H+ transport through the F1Fo ATP synthase.

The Effect of Charge, Isospin, and Strangeness in the QCD Phase Diagram Critical End Point

In this work, we discuss the deconfinement phase transition to quark matter in hot/dense matter. We examine the effect that different charge fractions, isospin fractions, net strangeness, and chemical equilibrium with respect to leptons have on the position of the coexistence line between different phases. In particular, we investigate how different sets of conditions that describe matter in neutron stars and their mergers, or matter created in heavy-ion collisions affect the position of the critical end point, namely where the first-order phase transition becomes a crossover. We also present an introduction to the topic of critical points, including a review of recent advances concerning QCD critical points.

Thermal energy storage using phase change material: Analysis of partial tank charging and discharging on system performance in a building cooling application

Thermal energy storage coupled with phase change materials is a technology that offers the potential to shift and in some case reduce building cooling loads and increase energy efficiency. This simulation study uses a TRNSYS building and HVAC system model to investigate whether partially charging and discharging a phase change material thermal energy storage tank can improve the operational characteristics required by a light-weight commercial building located in a Mediterranean climate. The results indicate that partial charging and discharging can lead to better energy performance of the phase change material thermal energy storage HVAC system. If the phase change material thermal energy storage tank is not required to operate at maximum capacity (i.e., maximum charge), energy savings are possible by only partially charging the tank. Further energy efficiency gains are also possible by control of the heat transfer fluid flow rates in the HVAC thermal energy storage system loops. Generally, higher charging loop flow rates and lower discharge loop flow rates produce better energy performance. Charging a phase change material thermal energy storage tank above 90% is not recommended, as at very high charge fractions, the energy performance decreases considerably, while the charging time increases significantly.

How charge trapping affects the conductivity of electrochemically doped poly(3-hexylthiophene) films

Electrochemical doping is an elegant method of controlling the doping level and charge carrier densities of conjugated polymer films and enhancing their thermoelectric figure of merit. Applying this doping technique to films of poly(3-hexylthiophene) (P3HT) results in conductivities with values as high as 200 S/cm. The stability of the doped films in the solid state can be probed by UV-vis-NIR spectroscopy. We found that the choice of the conducting salt in the liquid electrolyte exerts a strong influence over the conductivity. Using TBAPF6 and LiClO4 provides highest conductivities for P3HT films, while LiTFSI and TBABF4 show overall lower performance. This effect is also reflected in cyclic voltammetry measurements coupled with in situ spectroscopy. Overall lower reversibility upon multiplex cycling in LiTFSI and TBABF4 electrolytes suggests strong charge trapping effects, which one might attribute to a considerable fraction of charges (holes/ions) remaining in the films after charge/discharge cycles. The salts with stronger charge irreversibility in the electrochemistry experiments show the poorer solid state conductivities. Our conclusion is that one should carefully choose the electrolyte to ensure good percolation pathways and delocalized charge transport throughout doped films.

Ionic Transport and Thermodynamic Interaction in Precision Polymer Blend Electrolytes for Lithium Batteries

AbstractSingle‐ion conducting polymer electrolytes are of interest for use with advanced battery electrodes such as lithium metal, but achieving sufficiently high conductivity has been challenging. In this work, a model system containing charged sites that are precisely spaced along the polymer backbone is explored. Precision sulfonated poly(4‐phenylcyclopentene) lithium salt (p5PhS‐Li) with a high degree of sulfonation (> 90%) is synthesized and blended with poly(ethylene oxide) (PEO) to investigate the thermodynamic and transport properties. Melting point depression is measured via differential scanning calorimetry, ionic conductivity,κ, is determined using electrochemical impedance spectroscopy, and the fraction of current carried by Li+is estimated based on steady‐state current measurements. In conjunction with a density measurement, melting point depression is used to find an effective Flory–Huggins interaction parameter,χeff= − 0.21, suggesting miscibility of the blend.κspans a large range from 2 × 10−11to 2 × 10−7S cm−1over the composition and temperature range investigated. The fraction of charge carried by lithium ions also spans a significant range from 0.12 in majority PEO blend to 0.98 in majorityp5PhS‐Li blend. This study addresses several limitations of sulfonated polystyrene and opens up the possibility of precisely controlling the spacing of other anion types.

A Modeling-Based Design to Engineering Protein Hydrogels with Random Copolymers.

Protein enzymes have shown great potential in numerous technological applications. However, the design of supporting materials is needed to preserve protein functionality outside their native environment. Direct enzyme-polymer self-assembly offers a promising alternative to immobilize proteins in an aqueous solution, achieving higher control of their stability and enzymatic activity in industrial applications. Herein, we propose a modeling-based design to engineering hydrogels of cytochrome P450 and of PETase with styrene/2-vinylpyridine (2VP) random copolymers. By tuning the copolymer fraction of polar groups and of charged groups via quaternization of 2VP for coassembly with cytochrome P450 and via sulfonation of styrene for coassembly with PETase, we provide quantitative guidelines to select either a protein-polymer hydrogel structure or a single-protein encapsulation. The results highlight that, regardless of the protein surface domains, the presence of polar interactions and hydration effects promote the formation of a more elongated enzyme-polymer complex, suggesting a membrane-like coassembly. On the other hand, the effectiveness of a single-protein encapsulation is reached by decreasing the fraction of polar groups and by increasing the charge fraction up to 15%. Our computational analysis demonstrates that the enzyme-polymer assemblies are first promoted by the hydrophobic interactions which lead the protein nonpolar residues to achieve the maximum coverage and to play the role of the most robust contact points. The mechanisms of coassembly are unveiled in the light of both protein and polymer physical-chemistry, providing bioconjugate phase diagrams for the optimal material design.