Charge Region Research Articles

Molecular mechanism of regulation of RhoA GTPase by phosphorylation of RhoGDI

Rho-specific guanine nucleotide dissociation inhibitors (RhoGDIs) play a crucial role in the regulation of Rho family GTPases. They act as negative regulators that prevent the activation of Rho GTPases by forming complexes with the inactive GDP-bound state of GTPase. Release of Rho GTPase from the RhoGDI-bound complex is necessary for Rho GTPase activation. Biochemical studies provide evidence of a "phosphorylation code," where phosphorylation of some specific residues of RhoGDI selectively releases its GTPase partner (RhoA, Rac1, Cdc42, etc.). This work attempts to understand the molecular mechanism behind this specific phosphorylation-induced reduction in binding affinity. Using several microseconds long atomistic molecular dynamics simulations of the wild-type and phosphorylated states of the RhoA-RhoGDI complex, we propose a molecular-interaction-based mechanistic model for the dissociation of the complex. Phosphorylation induces major structural changes, particularly in the positively charged polybasic region (PBR) of RhoA and the negatively charged N-terminal region of RhoGDI that contribute most to the binding affinity. Molecular mechanics Poisson-Boltzmann surface area binding energy calculations show a significant weakening of interaction on phosphorylation at the RhoA-specific site of RhoGDI. In contrast, phosphorylation at a Rac1-specific site does not affect the overall binding affinity significantly, which confirms the presence of a phosphorylation code. RhoA-specific phosphorylation leads to a reduction in the number of contacts between the PBR of RhoA and the N-terminal region of RhoGDI, which manifests a reduction of the binding affinity. Using hydrogen bond occupancy analysis and energetic perturbation network, we propose a mechanistic model for the allosteric response, i.e., long-range signal propagation from the site of phosphorylation to the PBR and buried geranylgeranyl group in the form of rearrangement and rewiring of hydrogen bonds and salt bridges. Our results highlight the crucial role of specific electrostatic interactions in manifestation of the phosphorylation code.

Sustainable structural polysaccharides conversion: How does DES pretreatment affect cellulase adsorption, thereby improving enzymatic digestion of lignocellulose?

Biomass conversion aims at degrading the structural polysaccharides of lignocellulose into reducing sugars. Pretreatment is necessary to overcome the recalcitrance of lignocellulose. The DES La/ChCl in this paper was selected based on our previous study. To examine cellulase adsorption of lignocellulose after DES pretreatment, sorghum straw was pretreated with DES under different condition. The adsorption improvement of cellulase on lignocellulose after DES pretreatment has positive impact on reducing sugar production of biomass. After DES pretreatment, 1. pore corrosion caused the upward trend of pore radius and the downward trend of SSA. 2. the hydrogen bounding force of pretreated sorghum straw and MCC decreased, the hydrogen bounding force of pretreated lignin increased. 3. although the unsaturation of pretreated lignin increased, DES pretreatment is helpful for the removal of lignin. 4. The decrease in the hydrophobicity of sorghum straw make it easier to disperse. 5. the Zeta potential of pretreated sorghum straw shifted towards the positively charged region, while pretreated lignin shifted towards the negatively charged region. 6. different adsorption behaviors were observed in specific components of cellulase mixtures (BGs, CBHs, EGs and xlylanase). These results revealing the mechanism of enzyme adsorption are conductive for understanding the role of pretreatment in biomass conversion.

Piezoelectric shield Schottky barrier coupling LSPR effect promoted the elimination of 2,4-dichlorophenol by Bi@Bi2WO6

The piezoelectric polarization significantly influences the behavior of charge carrier transfer. In this study, we successfully synthesized a Bi@Bi2WO6 Schottky heterojunction, employing a solvothermal method that incorporates a coupling mechanism integrating localized surface plasmon resonance (LSPR) and the piezoelectric effect. Upon exposure to both illumination and ultrasonic treatment, Bi@Bi2WO6 demonstrated optimal piezo-photocatalytic performance, achieving a remarkable 94.3 % degradation rate of 2,4-dichlorophenol (2,4-DCP) within 90 min. This removal efficiency was 3.0 times higher than that of metallic Bi and 2.1 times higher than pure Bi2WO6. The observed reduction in the band gap of Bi@Bi2WO6 (2.94–2.18 eV) can be attributed to resonant light absorption induced by local near-field enhancement, known as the LSPR effect. The notable piezoelectric response of Bi@Bi2WO6 exacerbated the compression of the Schottky barrier height (SBH). The photocurrent-time curve (I-T) showed a significant difference, indicating a reduced SBH at the space charge region, thereby enhancing the transfer of charge carriers at the interface. This led to a strong directional injection efficiency of hot electrons, accounting for the observed discrepancies in catalytic performance. A logical extension of this research was to investigate the immediate impact of the plasma-catalyst, characterized by a highly sensitive piezoelectric response, on photon transformation.

Hyaluronan-arginine enhanced and dynamic interaction emerges from distinctive molecular signature due to electrostatics and side-chain specificity

Hyaluronan is a natural carbohydrate polymer with a negative charge that fosters gel-like conditions crucial for its cellular functions and industrial applications. As a recognized ligand for proteins, understanding their mutual interactions provides solid ground to tune hyaluronan's gel properties using biocompatible peptides. This work employs NMR and molecular dynamics simulations to identify molecular motifs relevant to hyaluronan–peptide interactions using arginine, lysine, and glycine oligopeptides. Arginine-rich peptides exhibit the strongest binding to hyaluronan according to chemical shift perturbation measurements, followed distantly by the similarly charged lysine. This difference highlights the significance of electrostatics and the peculiarities of the guanidinium side chain in arginine, capable of non-polar interactions that further stabilize the binding. Additional nuclear Overhauser effect measurements do not show stable interaction partners, precluding strong and well-defined complexes. Finally, molecular simulations support our findings and show an extended but significant interaction region, especially for arginine, responsible for the observed enhanced binding, which can also promote cross-linking of hyaluronan polymers. Our findings pave the way for optimizing biocompatible peptides to alter hyaluronan gels' properties efficiently and also explain why hyaluronan–protein interaction typically involves positively charged arginine-rich regions also capable of forming hydrogen bonds and non-polar interactions.

Battery Voltage Prediction Technology Using Machine Learning Model with High Extrapolation Accuracy

Battery performance prediction techniques based on machine learning (ML) models and lithium-ion battery (LIB) data collected in the real world have received much attention recently. However, poor extrapolation accuracy is a major challenge for ML models using real-world data, as the data frequency distribution can be uneven. Here, we have investigated the extrapolation accuracy of the ML models by using artificial data generated with an electrochemical simulation model. Specifically, we set a lower open circuit voltage (OCV) limit for the training data and generated data limited to the higher state of charge (SOC) region to train the voltage prediction model. We have validated the root mean squared error (RMSE) of the voltage for the test data at several lower OCV limit settings and defined the average + 3 standard deviations of them as an evaluation metric. Eight representative ML models were evaluated, and it was found that the multilayer perceptron (MLP) showed an accuracy of 92.7 mV, which was the best extrapolation accuracy. We also evaluated models with published experimental data and found that the MLP had an accuracy of 102.4 mV, reconfirming that it had the best extrapolation accuracy. We also found that MLP was robust to changes in the data of interest since the accuracy degradation when changing from simulation to experimental data was as small as a factor of 1.1. This result shows that MLP can achieve higher voltage prediction accuracy even when collecting data for comprehensive SOC conditions is difficult.

Analysis of the Effect of Radiation Defects by Low-energy Protons on Electrophysical Properties of Silicon N+ -P-P+Structure

Nowadays, radiation engineering is a promising direction in the creation of semiconductor devices. The proton irradiation is used to controllably change the optical, electrical, recombination, mechanical and structural properties of the semiconductors. Low-energy protons make it possible to purposefully change material properties near the surface where the n+ -p junction is located. In this paper, the impact of low-energy protons on the electro physical parameters of n+ -p-p+ silicon photoelectric converters (SPC) is analyzed. The current-voltage characteristics and switching time of these SPCs are measured. The switching time is determined using rectangular bipolar voltage pulses with an amplitude of 10 mV, a frequency of 200 kHz, or a frequency of 1 MHz. A theoretical and experimental analysis of the obtained results is performed. The comparison of experimental data with the results of calculations shows that protons with an energy of 180 keV and a dose of 1015 cm–2 create two regions in the space charge region of the n+ -p junction with different switching times of 4.2 × 10–7 s and 5.5 × 10–8 s. SPC frequency characteristics have been improved by reducing the effective lifetime by 5-10 times. This effect can be used to create high-speed photodiodes with an operating modulation frequency of 18 MHz.

Electrochemical reduction induced OVD in BiOBr nanosheets for sensitive photoelectrochemical detection of doxycycline

The regulation of semiconductor-electrolyte interface (SEI) is a promising way to optimize the photoelectrochemical performance of the semiconductor. Herein BiOBr nanosheets were electrochemically reduced to form oxygen vacancy defects (OVD) on the surface, thus increasing the carrier concentration and narrowing the space charge region at SEI. The best photoelectric response was obtained when the reduction potential was −0.2 V vs. Ag/AgCl. The OVD modified BiOBr structure was confirmed by different techniques. The electrochemical impedance spectroscopy (EIS) and Mott-Schottky (MS) plots evidenced the carrier concentration increase and the internal electric field enhancement. The time resolved photoluminescence (TRPL) measurements reflected the life time of photogenerated carriers was prolonged obviously. The optimized sample was chose for photoelectrochemical (PEC) detection of doxycycline (DOC). The fabricated PEC sensor could sensitively distinguish DOC solutions with concentrations varying from 0.1 μM to 100 μM. The photocurrent exhibited a linear relationship against the logarithm of concentration. The sensitivity was 8.21nA per logarithm and the limit of detection (LOD) was 0.026 μM at 3σ/S. The PEC sensor also displayed good anti-interference capacity and excellent stability. Our work shed light on the control of PEC performance of BiOX (X = Cl, Br, I) through introducing electrochemically induced OVD.

The transmembrane protein LbRSG from the recretohalophyte Limonium bicolor enhances salt gland development and salt tolerance.

Salt glands are the unique epidermal structures present in recretohalophytes, plants that actively excrete excess Na+ by salt secretory structures to avoid salt damage. Here, we describe a transmembrane protein that localizes to the plasma membrane of the recretohalophyte Limonium bicolor. As virus-induced gene silencing of the corresponding gene LbRSG in L. bicolor decreased the number of salt glands, we named the gene Reduced Salt Gland. We detected LbRSG transcripts in salt glands by in situ hybridization and transient transformation. Overexpression and silencing of LbRSG in L. bicolor pointed to a positive role in salt gland development and salt secretion by interacting with Lb3G16832. Heterologous LbRSG expression in Arabidopsis enhanced salt tolerance during germination and the seedling stage by alleviating NaCl-induced ion stress and osmotic stress after replacing or deleting the (highly) negatively charged region of extramembranous loop. After screened by immunoprecipitation-mass spectrometry and verified using yeast two-hybrid, PGK1 and BGLU18 were proposed to interact with LbRSG to strengthen salt tolerance. Therefore, we identified (highly) negatively charged regions in the extramembrane loop that may play an essential role in salt tolerance, offering hints about LbRSG function and its potential to confer salt resistance.

Human thymic putative CD8αα precursors exhibit a biased TCR repertoire in single cell AIRR-seq

Thymic T cell development comprises T cell receptor (TCR) recombination and assessment of TCR avidity towards self-peptide-MHC complexes presented by antigen-presenting cells. Self-reactivity may lead to negative selection, or to agonist selection and differentiation into unconventional lineages such as regulatory T cells and CD8mathrm{alpha alpha } T cells. To explore the effect of the adaptive immune receptor repertoire on thymocyte developmental decisions, we performed single cell adaptive immune receptor repertoire sequencing (scAIRR-seq) of thymocytes from human young paediatric thymi and blood. Thymic PDCD1+ cells, a putative CD8mathrm{alpha alpha } T cell precursor population, exhibited several TCR features previously associated with thymic and peripheral ZNF683+ CD8mathrm{alpha alpha } T cells, including enrichment of large and positively charged complementarity-determining region 3 (CDR3) amino acids. Thus, the TCR repertoire may partially explain the decision between conventional vs. agonist selected thymocyte differentiation, an aspect of importance for the development of therapies for patients with immune-mediated diseases.

Pervasive, conserved secondary structure in highly charged protein regions.

Understanding how protein sequences confer function remains a defining challenge in molecular biology. Two approaches have yielded enormous insight yet are often pursued separately: structure-based, where sequence-encoded structures mediate function, and disorder-based, where sequences dictate physicochemical and dynamical properties which determine function in the absence of stable structure. Here we study highly charged protein regions (>40% charged residues), which are routinely presumed to be disordered. Using recent advances in structure prediction and experimental structures, we show that roughly 40% of these regions form well-structured helices. Features often used to predict disorder-high charge density, low hydrophobicity, low sequence complexity, and evolutionarily varying length-are also compatible with solvated, variable-length helices. We show that a simple composition classifier predicts the existence of structure far better than well-established heuristics based on charge and hydropathy. We show that helical structure is more prevalent than previously appreciated in highly charged regions of diverse proteomes and characterize the conservation of highly charged regions. Our results underscore the importance of integrating, rather than choosing between, structure- and disorder-based approaches.

Insight into What Is inside Swift Heavy Ion Latent Tracks in PET Film.

We present here a novel experimental study of changes after contact electrification in the optical transmission spectra of samples of both pristine and irradiated PET film treated with Kr+15 ions of energy of 1.75 MeV and a fluence of 3 × 1010 cm2. We used a non-standard electrification scheme for injecting electrons into the film by applying negative electrodes to both its surfaces and using the positively charged inner regions of the film itself as the positive electrode. Electrification led to a decrease in the intensity of the internal electric fields for both samples and a hypsochromic (blue) shift in their spectra. For the irradiated PET sample, electrification resulted in a Gaussian modulation of its optical properties in the photon energy range 2.3-3.6 eV. We associate this Gaussian modulation with the partial decay of non-covalent extended conjugated systems that were formed under the influence of the residual radial electric field of the SHI latent tracks. Our studies lead us to suggest the latent track in the PET film can be considered as a variband material in the radial direction. Consideration of our results along with other published experimental results leads us to conclude that these can all be consistently understood by taking into account both the swift and slow electrons produced by SHI irradiation, and that it appears that the core of a latent track is negatively charged, and the periphery is positively charged.

Bacterial RNA-free RNase P: Structural and functional characterization of multiple oligomeric forms of a minimal protein-only ribonuclease P

tRNAs are typically transcribed with extended 5' and 3' ends that must be removed before they attain their active form. One of the first steps of tRNA processing in nearly every organism is the removal of the 5' leader sequence by ribonuclease P (RNase P). Here, we investigate a recently discovered class of RNase P enzymes, Homologs of Aquifex RNase P (HARPs). In contrast to other RNase Ps, HARPs consist only of a metallonuclease domain and lack the canonical substrate recognition domain essential in other classes of proteinaceous RNase P. We determined the cryo-EM structure of Aquifex aeolicus HARP (Aq880) and two crystal structures of Hydrogenobacter thermophilus HARP (Hth1307) to reveal that both enzymes form large ring-like assemblies: a dodecamer in Aq880 and a tetradecamer in Hth1307. In both oligomers, the enzyme active site is 42Å away from a positively charged helical region, as seen in other protein-only RNase P enzymes, which likely serves to recognize and bind the elbow region of the pre-tRNA substrate. In addition, we use native mass spectrometry to confirm and characterize the previously unreported tetradecamer state. Notably, we find that multiple oligomeric states of Hth1307 are able to cleave pre-tRNAs. Furthermore, our single-turnover kinetic studies indicate that Hth1307 cleaves pre-tRNAs from multiple species with a preference for native substrates. These data provide a closer look at the nuanced similarities and differences in tRNA processing across disparate classes of RNase P.

Achieving porous germanium from both p- and n-type epitaxial Ge-on-Si via bipolar potentiostatic etching

Due to the large surface specific area, tunable porosity and refractive index, porous germanium (Ge) has wide applications in optoelectronics, photovoltaics, anode materials in batteries. Electrochemical etching is the most used approach to fabricate porous Ge. However, previous work focused on bulk Ge wafer etching, which is not suitable for device integration on a Si substrate, and illumination had to be used for n-type porous Ge formation. In this paper, we show that by using bipolar potentiostatic etching, porous Ge with the thickness of more than 100 nm and the pore diameter in the range of 10 to 100 nm, can be obtained from both p- and n-type Ge-on-Si layers without illumination. The pore formation mechanism is interpreted by hydrogen evolution effect and Space Charge Region (SCR) model where pore nucleation, growth and dissolution are determined by the total etching time. Our work paves the way for porous Ge applications in Si based integrated photonics and microelectronics.

Surfaces with Lowered Electron Work Function: Problems of Their Creation and Theoretical Description. A Review

Experimental studies devoted to the creation of the modern photocathodes or efficient field emission cathodes with lowered work function or low/negative electron affinity are reviewed. We present theoretical models, where the electron affinity lowering is associated with the influence of electrically charged layers at the semiconductor/insulator interface. Modern experimental techniques of measuring the work function or the electron affinity and technologies aimed at fabricating the surfaces with low work function/electron affinity are described. In the framework of a simple theoretical model developed by the authors, it has been demonstrated that the presence of a dipole layer (e.g., composed of negatively charged oxygen ions and positively charged rare earth ions) at the semiconductor surface can lower the electron affinity by up to 3 eV provided equal concentrations of oppositely charged adsorbate ions. It is also shown that if the surface concentration of negatively charged oxygen ions is higher than the surface concentration of positively charged metal ions, the lowering of the electron affinity becomes smaller due to the upward band bending in the space charge region in the semiconductor; otherwise, the lowering of the electron affinity becomes larger due to the downward band bending. This effect allows technological proposals to be formulated for obtaining surfaces with minimum work function values in modern field-emission-based electronic devices. In the framework of the proposed model, the work function was evaluated for the OH-functionalized MXene. The corresponding value for the unfunctionalized MXene equals about 4.5 eV, being practically independent of the number of Ti and C layers (from 1 to 9 layers). The OH-functionalization lowers it down to about 1.6 eV, and this value is also practically independent of the number of atomic layers in MXene. Experimental approaches to obtain cathodes with low work function/low electron affinity are described. They are aimed at creating a spatial separation of electric charges in the near-surface cathode region perpendicularly to the surface plane. The corresponding spatial distributions of positive and negative charges are characterized by their localization either in two different atomic planes or in one plane and an extended space region (the latter variant is typical of semiconductor substrates). The technologies for producing such surfaces are based on various methods of adsorbate deposition onto the metal or semiconductor substrate: physical vapor deposition, chemical vapor deposition, liquid phase deposition, diffusion from the substrate bulk, and so forth. Particular attention is paid to the experimental works dealing with the adsorbtion of rare earth metals (Ce, Gd, Eu) and the coadsorbtion of oxygen onto the Si, Ge, and Mo surfaces (in a nano-structured state as well), which results in the dipole layer formation and the work function reduction.

Space charge region induced self-evolution dehydrogenation of polymorphic magnesium-based hydrides

Space charge region induced self-evolution dehydrogenation of polymorphic magnesium-based hydrides

High-Misalignment Tolerance and Output Adjustable Wireless Charging System via Detuned Series–Series Compensated Reconfigurable Transmission Channels

This paper proposes a wireless charging system (WCS) with two reconfigurable transmission channels to achieve constant current/voltage (CC/CV) charging, anti-misalignment solid ability, and zero voltage switching (ZVS) operation. First, the structure design and working principle of the orthogonal magnetic coupler (OMC) are given. The OMC's parameters are optimized using the orthogonal experimental design. Then, the coupling performance of OMC is illustrated by Ansys simulations. Second, the topology and principle of the designed WCS are analyzed. The relationship between charging controllability, misalignment performance, and system parameters is presented. The design method and working principle of the magnetic flux controllable inductor (MFCI) used as the power adjustment circuit and auxiliary improvement of anti-misalignment ability are provided. Third, the schematic diagram and hardware of the closed-loop controller are given. The PLECS simulations verify the feasibility of using the MFCI to realize the above design goals. Finally, an experimental prototype of an unmanned aerial vehicle (UAV) is built to validate the method's feasibility. When the maximum charging power is 126 W, the maximum system efficiency is 91.6%. Besides, assuming system efficiency decreases by 5% from the maximum value, the maximum horizontal misalignment ratio is 42%, corresponding to a desired approximately circular charging region.

Phase-field simulations of topological conservation in multi-vortex induced by surface charge in BiFeO3 thin films

The creations and manipulations of vortexes in ferroelectric materials with external stimuli are expected to be used in the design and fabrication of sensing materials and multifunctional electronic devices. In this work, we investigated the surface charge-induced multi-vortex evolution using the phase-field simulations in BiFeO3. A combination of domain morphology, polarization distribution and winding number calculation was considered. The results show that vortex and anti-vortex exist simultaneously in pairs, and the total value of winding numbers is always 0. In addition, the minimum distance [Formula: see text] between the surface charge regions is 9[Formula: see text]nm when the vortex domains are independent of each other. This work provides a reference for the manipulation of ferroelectric vortex induced by surface charges, which lays a theoretical foundation for the design and fabrication of high-density vortex memories.

CONFORMATIONAL STRUCTURE OF AN ADSORBED POLYELECTROLYTE ON A NANOPARTICLE WITH LOW CONDUCTIVITY IN AN ALTERNATING ELECTRIC FIELD

An analytical form of the model of the quasi-equilibrium conformational structure of the units of the Gaussian chain of a polyelectrolyte adsorbed on a nanospheroid witha relatively low electrical conductivity (undoped semiconductor) polarized in an external harmonically varying quasi-static electric field with a frequency significantly lower than the plasma frequency of the nanoparticle material is proposed. Variants ofthe model are discussed that go beyond the scope of the quasi-static approximation, i.e., take into account the effects of delay, the manifestation of which will be noticeable in the case of sufficiently extended nanostructures. Electrically induced conformational changes of generally neutral polyampholytic polypeptides on the surface of a spherical germanium nanoparticle in a static or alternating external electric field have been studied by molecular dynamics. In a static electric field, in the case of asmall distance between the charged units in the polyampholyte, a large number of macrochain loops were formed, elongated in the direction of the polarization axis of the nanoparticle. If the distance between the oppositely charged amino acid residues of the polypeptide exceeded the diameter of the nanoparticle, the charged units were mainly localized in the oppositely charged subpolar regions of the polarized germanium nanoparticle. In an alternating electric field, a girdle polyampholyte edge was formed in the equatorial region of the nanoparticle, the macrochain links of which were desorbed from the surface with an increase in the amplitude of the polarizing alternating electric field.

Decoupling the Capacity Fading in Ni‐Rich Layered Materials during High‐Temperature Cycling in the Full‐Cell System

AbstractThe performance of commercial lithium‐ion batteries (LIBs) tends to degrade over time owing to the deterioration of key components, including cathode, anode, and electrolyte. To enhance performance, it is crucial to gain insights into the actual deterioration state of each element. Here, the high‐temperature deterioration of a Ni‐rich layered cathode is investigated, which is widely used in electric vehicles. In the refresh process after a prolonged cycle, a significant recovery of the lattice structure predominantly occurs in the discharge region. This pseudo‐deterioration of the Ni‐rich cathode within the full‐cell system is mainly due to the consumption of the Li‐ion forming the solid electrolyte interphase layer at the graphite anode during the cycle. Moreover, irreversible deteriorations that are not restored through the refresh process are observed in both charge and discharge regions. Structure analyses reveal that the long‐term cycling at the high temperature leads to a mixed fading of charge and discharge via various deterioration such as the formation of NiO‐like rock salt phase on the cathode surface and increased cation disorder in the bulk. These findings deepen the understanding of the deterioration behavior of Ni‐rich cathodes in full‐cell systems, providing insights for enhancing the performance of high‐temperature cycling.

Rectification behavior of a conical nanopore subject to extra simultaneously applied concentration and thermal gradients

The transport of ions in biological cells can be efficiently regulated by a uniformly distributed salt concentration and temperature in their ion channels. Attempting to understand the interactions between these two factors, we consider the ionic transport of a conical nanopore functionalized with bipolar polyelectrolyte (PE) layers subject to applied electric field, concentration gradient (∇C), and thermal gradient (∇T). The electrokinetic behavior of the system considered is primarily governed by ∇C which contributes to diffusion flow. In contrast, the contribution of ∇T is only auxiliary. Through varying the directions of ∇C and ∇T (four possible combinations), we show that the accumulation and depletion of ions in the nanopore are mainly influenced by the shielding effect of the charged region of PE layers. If a small negative voltage bias is applied, an anion-selective nanopore switches to a cation-selective one, and this phenomenon is pronounced when a higher concentration is placed on the nanopore tip side. However, that phenomenon is temperature independent. When ∇C is applied, the ionic current rectification factor Rf shows a maximum value as a higher concentration is placed on the nanopore tip side, while it monotonically decreases as a higher concentration is placed on the other side. As for applying ∇T, the rectification capability of the nanopore is only slightly affected. The ion selectivity S under opposite polarities of voltage bias shows unique phenomena: If V=+1V, S mainly depends on temperature, which is almost uniform in the nanopore. In contrast, S is dominated by concentration when V=−1V, which arises from the enhancement or offset of diffusion and migration fluxes.