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A coarse-grained Poisson–Nernst–Planck model for polyelectrolyte-modified nanofluidic diodes

  • Zhe Li , Chaowu Mao , Liuxuan Cao EMAIL logo , Huifang Miao EMAIL logo and Lijuan Li EMAIL logo
Published/Copyright: May 29, 2024
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Nanotechnology Reviews
From the journal Nanotechnology Reviews Volume 13 Issue 1

Abstract

Polyelectrolyte (PE)-modified synthetic nanopores have gained substantial research attention because molecular modification promotes ion gating and rectification. However, theoretical research on PE-modified nanopores is relatively scarce because it is difficult to establish an elaborate model for PEs, and it accordingly causes a trade-off between the computational resources needed and the accuracy. Therefore, an appropriate simulation method for the PE-modified nanopore is in high demand and still an enormous challenge. Herein, we report the simulation result of ion transport through PE-modified nanopores through a coarse-grained Poisson–Nernst–Planck method. By modeling the stuffed PE molecules as PE particles in a well-established continuum model, adequate computational accuracy can be achieved with acceptable computational cost. Based on this model, we study the ion transport in PE-modified nanofluidic diodes and reveal the PE around ion selectivity, which can explain the previous experimental works. Intriguingly, we found that the ion enrichment state in the nanofluidic diode is sensitive to steric hindrance and charge distribution near the heterojunction region. This property is critical for the ion transport behavior in the PE-modified nanofluidic diodes. Based on this property, we predict a heterogeneous structure that can realize the single molecule response to charged analytes. These findings provide insights for understanding the ion transport in PE-modified nanofluidic systems and bring inspiration to the design and optimization of high-performance chemical sensors.

Keywords: polyelectrolyte-modified nanopores; ion transport; coarse-grained Poisson–Nernst–Planck method; nanofluidic diodes; chemical sensor

1 Introduction

Biomimetic nanopores in solid-state materials find broad applications in DNA sequencing [1–3], chemical sensing [4,5], water purification [6,7], gas separation [8–10], and energy conversion [11–13] due to the unique transport phenomena observed at the nanoscale [14,15]. Experimentally, symmetric and asymmetric ion transport properties, such as ion selectivity, molecular/ionic gating, and ionic current rectification (ICR), have become the most comprehensively studied research topics [16–18]. Single-nanopore or nanoporous materials have been successfully fabricated using polymeric [19,20], silicon-based [21,22], alumina [23], and even mono- or multi-layered 2D materials [24–26]. In the last 5–10 years, polyelectrolyte (PE)-modified 1D nanofluidic systems, including synthetic polymer brushes [27,28], nucleic acid [29–31], and polypeptides [32,33], have garnered significant attention. The PE modification enables an effective way to regulate the steric hindrance and the surface or space charge inside the nanopores and, therefore, endows new functions for the nanopores, such as the responsiveness to environmental stimuli [34,35]. More importantly, they offer fresh insights into the fundamental ion transport properties on micro- or nano-scale. For instance, Tsou and Hsu demonstrated that nanopores grafted with pH-regulated PEs show superior rejection compared to unmodified nanopores, as shown in a continuum model study [36]. Wang et al.’s research indicates that grafting can increase nanopore size and raise permeability while maintaining rejection simultaneously [33].

Despite rapid advancements in experimental research, the field still needs a simple yet effective theoretical model for PE-modified 1D nanofluidic systems [37]. Notably, with today’s advanced computer architecture, molecular mechanisms underlying this process can be understood through atomistic simulations. However, the ion rectification effect related to the nanopores’ large-scale behaviors is not feasible through atomistic simulations alone due to prohibitive computational costs and minimal computational domains [38–42]. The prohibitive computational cost and the minimal computational domain largely restrict the minimal use of this method. Alternatively, the analytical techniques combine the transport equations with density functional theory, which succinctly describes the grafted molecular chains and their influence on transport properties [43–45]. However, this analytical method overlooks the momentum transport from the aqueous phase. Thus, it cannot deal with the coupled transport of ionic species and water flows, such as the electroosmotic effects [46]. Moreover, restricted by the mean-field description of the molecular species, this method faces challenges in extending to other types of PE molecules. The continuity model based on the Poisson–Nernst–Planck (PNP) theory is widely acknowledged as a successful method for describing mass and charge transport in 1D nanofluidic systems [47–52]. It offers high accuracy while significantly saving computational expense. However, the commonly used PNP models are limited to calculating the contribution from the geometric and charge properties of the channel wall [53]. It can hardly deal with the modified PE brushes within the nanofluidic channels [54]. Therefore, there is an urgent need for a more efficient computational model for PE-modified nanofluidic systems.

The concept of coarse-graining may be beneficial in addressing this challenge. The coarse-graining approach offers considerable advantages in simulating PE translocation by substantially reducing computational demands. Abstracting PEs into a simplified bead-based model enhances processing efficiency, and saving computational resources and time. This method focuses on the essential physical aspects of electrostatic interactions, ionic strength, pH, and applied electric fields – without entanglement in molecular detail, streamlining the investigation of these primary forces. With appropriately adjusted parameters to reflect experimental geometric dimensions and charge distribution, the coarse-grained model successfully replicates observed behaviors in polymer translocation through biological pores, directly comparing simulations with experimental data under varied conditions [55]. In this manner, coarse-graining adeptly bridges theoretical models with practical laboratory outcomes, providing a robust framework for understanding complex biophysical processes.

Herein, we apply the coarse-grained method to describe the stuffed PE molecules with precisely controlled modification states and integrate the coarse-grained particles (CGPs) into the computational domain of the governing PNP equations. The calculation result suggests that the highly rectified ion transport properties stem from the heterogeneously modified nanofluidic diode. It also unveils the influence of the CGPs and the modification states on the ICR properties, which is hardly known by experimental means. Intriguingly, the ion enrichment state in the nanofluidic diode is much more sensitive to the steric hindrance and charge distribution than ion depletion. Based on this extraordinary character, we establish an effective sensing platform for negative, positive, or neutral nanoparticles.

2 Methods and models

2.1 Computation models

In our model, the unmodified nanopore was designed to have a cylindrical shape. To accurately mimic the steric hindrance and charge interactions brought by the PE modification in the nanofluidic system, the PE chains were modeled as an array of rigid nanoparticles with defined surface charge properties, termed CGPs. The diameter and interstitial spacing of the PE particles were carefully chosen to simulate the steric hindrance effects effectively. The diameter (d) and inter-particle distance (l) of the CGPs satisfy a relationship of D = n ∙ d + (n + 1) ∙ l concerning the diameter of the nanopore (D = 60 nm) to enable the homogeneous filling of nanopores, where n is the number of CGPs in a column (Figures 1 and 2a).

Figure 1 Calculation model for PE-modified nanofluidic diodes.
Figure 1

Calculation model for PE-modified nanofluidic diodes.

Figure 2 The coarse-grained model and the simulation results in PE-modified nanofluidic diodes. (a) The stuffed PE structures were modeled as regularly arranged rigid PE particles. The interstitial distance (l = 2 nm) is set to be half of the diameter (d = 4 nm). (b) The fully opened nanopore with a negative charge has no preferential direction for ion transport. (c) A half-filled nanopore results in a tiny asymmetric ion transport. (d) Through introducing charge heterojunction, the ICR noticeably increases from 1.3 to 16.8. (e) The heterogeneous fulfillment of PEs in nanopores significantly enhances the ICR ratio to 760. The concentration condition is 10 mM KCl.
Figure 2

The coarse-grained model and the simulation results in PE-modified nanofluidic diodes. (a) The stuffed PE structures were modeled as regularly arranged rigid PE particles. The interstitial distance (l = 2 nm) is set to be half of the diameter (d = 4 nm). (b) The fully opened nanopore with a negative charge has no preferential direction for ion transport. (c) A half-filled nanopore results in a tiny asymmetric ion transport. (d) Through introducing charge heterojunction, the ICR noticeably increases from 1.3 to 16.8. (e) The heterogeneous fulfillment of PEs in nanopores significantly enhances the ICR ratio to 760. The concentration condition is 10 mM KCl.

The interstitial distance of the particle array was set to correlate positively with the diameter of the CGP. We set l = 0.5d (d = 4 nm if not explicitly mentioned) for simplicity. With this set, ions can only pass through the stuffed region’s inter-particle space, reflecting the polymer chains’ steric effect. The surface charge density on the nanopore wall was set to −0.06 C/m2, which is in agreement with the experimental results in the literature [12]. For a nanofluidic diode structure, CGPs with opposite surface charge polarities were separately stuffed on the two parts of the nanopore (Figure 2a). Their surface charge density magnitude was also set to 0.06 C/m2 [56]. Then, the governing PNP equations can be numerically solved in the computational domain following an established procedure. The coarse-grained Poisson–Nernst–Planck (CGPNP) model captures the essential features of the end-tethered PE assemblies, the steric hindrance, and the space charge [57]. It omits the atomic-level details of the PE chains by grouping adjacent atoms into interactive particles that significantly extend the computation scale [58]. More details can be found in ESI and references therein.

2.2 Theoretical simulation

The ionic flux transport across the nanopore is governed by coupled PNP equations [59],

(1) J → i = − D i ∇ c i + z i e c i k B T ∇ ϕ , i = + , − ,

(2) ∇ 2 Φ = − l ε ∑ i z i e c i , i = + , − ,

where Φ is the local electrical potential, c i is the local ion concentration, J i is the local ionic flux, D i is the diffusion coefficient, and z i is the valence of ionic species i . T , e , ε , and k B are the temperature, electron charge, dielectric constant of the electrolyte solution, and Boltzmann constant with their usual meaning.

The continuity equation should be satisfied in the steady-state condition:

(3) ∇ ⋅ J → i = 0 , i = + , − .

The Gauss law gives the boundary conditions for potential Φ:

(4) − n → ⋅ ∇ Φ = σ s ε ,

where n → is the unit vector in the expected direction. The local ionic flux also has zero standard components at boundaries, which can be expressed as

(5) n → ⋅ J → i = 0 , i = + , − .

The finite element method was used to solve the coupled partial differential equations with appropriate boundary conditions. This way, the ion concentration distribution, the local electric potential, and the ionic flux contributed separately by cations or anions can be calculated. The total ionic current through the nanopore can be obtained by integrating the ionic flux density over the whole cross-section of the nanopore,

(6) I i = z i e ∫ J i → d S , i = + , − ,

where S is the cross-sectional area of the nanopores.

2.3 Calculation models

The PE-modified superstructures are modeled as CGPs (named PE particles) with a diameter (d) of 4 nm and interstitial distance (l) of 2 nm (Figure 1). The chosen geometry parameters are consistent with those used in previous coarse-grained molecular dynamics simulations of nanopores filled with PEs. A 2D planar model is used to describe the cylindrical nanopore. The diameter (D) of the nanopore is 60 nm, and the channel length (L) is 500 nm. In a full-filled state, there are 830 PE particles filled in the nanopore (10 particles/column × 83 columns). The surface charge density on the pore wall and the PE particles is fixed at −0.06 C/m2, consistent with the previous literature. The scale of the reservoirs is 4 μm × 2 μm, which is large enough to obtain accurate calculation results. The concentration conditions of the two reservoirs are both 10 mM KCl.

2.4 Numerical calculation

The ion transport through the PE-modified nanofluidic system was analyzed under the continuum theoretical framework based on the coupled PNP equations [47,60]. The finite element approach solved the coupled partial differential equations under applicable boundary conditions, producing the electric potential and local ionic densities. The cationic (I +) and anionic flow (I −) could be calculated by integrating the ion flux density across the nanopore’s cross-section [61]. The total ionic current was equal to the algebraic sum of anionic and cationic currents. The cation transference number (t +), used to characterize the ion selectivity of the nanofluidic system, is defined as t + = I + /(I + + I −) [62]. The ICR ratio (f) is calculated using the formula f = I(+2 V)/I(−2V). The simulation results align closely with the Brownian dynamics approach, indicating that the continuous model’s accuracy is sufficient for nanopore diameters larger than 1 nm [63]. Existing literature has verified the validity of the numerical calculation method [47,49,50]. The numerical calculation was realized using the Multiphysics software COMSOL. More details can be found in ESI.

2.5 Model parameters

A 2D planar model was employed to simulate the PE-modified nanofluidic systems (Figure 1) [60]. The calculation domain included two reservoirs connected by a PE-particle-filled nanopore. To simplify the numerical calculation, the diameter and length of the nanopore were set as 60 and 500 nm, respectively. The full-filled nanopore model has 830 PE particles (10 particles/column × 83 columns). The diameter (d) of CGPs is 4 nm, and the interstitial distance (l) is 2 nm (Figure 2 and ESI). The scale of the reservoirs is 4 μm × 2 μm, which is large enough to ensure the accuracy of calculation [62]. The concentration of the two bulk reservoirs is 10 mM. The model parameters are listed in Tables S1–S3.

3 Results and discussion

3.1 ICR in PE-modified nanopore

Based on the CGPNP model, we demonstrate the stepwise formation by heterogeneously modifying PE chains. Initially, the unmodified nanopore shows linear current-voltage response (ICR ratio = 1) in 10 mM KCl solution due to symmetric geometry and surface charge distribution (Figure 2b). When the nanopore was half filled with negatively charged PE molecules from only one side (10 CGPs/column × 41 columns from the left side), the asymmetric modification resulted in slightly rectified ion transport with an ICR ratio of merely 1.3 (measured at ±2V, Figure 2c). Further chemical modification on the unmodified part of the nanopore surface reverses its charge polarity, leading to a dramatic increase in ICR (ICR ratio = 16.8, Figure 2d). However, since the nanopore diameter (D = 60 nm) is remarkably more significant than the Debye screening length of the surface charge on the pore wall, the enhancement in the degree of ICR is still limited [64]. Finally, the heterogeneity of PE molecules in the nanopore greatly enhances the forward current at positive voltage. It suppresses the reverse current at a negative voltage, contributing to a high ICR ratio of about 760 (Figure 2e). From the evolution process, one can see that the opposite charge property of the molecular stuff is crucial to the potent ICR effect in PE-modified nanofluidic diodes, rather than the geometric and electrostatic properties on the substrate nanopore. These calculation results qualitatively explain many previous experimental observations [31,65,66].

3.2 Origin of the enhanced ICR effect

As shown in Figure 3a and b, the cation (C p) and anion concentration (C n) within the

Figure 3 The origin of high ion rectification in heterogeneously fulfilled nanofluidic diode. The PE-particle-around ion enrichment (a) and ion depletion (b) provide high and low conductivity states under positive and negative applied bias conditions. (c) The electric field along the nanopore under forward bias promotes the migration of the enriched ions and eventually results in high ionic conductance. (d) The reverse bias produces a high potential barrier, which impedes both anion and cation transport.
Figure 3

The origin of high ion rectification in heterogeneously fulfilled nanofluidic diode. The PE-particle-around ion enrichment (a) and ion depletion (b) provide high and low conductivity states under positive and negative applied bias conditions. (c) The electric field along the nanopore under forward bias promotes the migration of the enriched ions and eventually results in high ionic conductance. (d) The reverse bias produces a high potential barrier, which impedes both anion and cation transport.

PE stuffed nanopore under forward bias (+V) is noticeably higher than that under reverse bias (−V), showing voltage-polarity-dependent solid ion concentration enrichment and depletion effect [67]. In contrast to the non-stuffed nanofluidic diodes (Figure S1), the ion concentration enrichment and depletion occur around the charged CGPs in PE-modified nanofluidic diodes rather than the set pore wall. Thus, the surface-charge-governed ion concentration enrichment and depletion can dominate even in very large nanopores. In addition, although the diameter of the nanopore already exceeds the Debye screening length, the inter-particle distance (l ∼ 2 nm) is located within its range. Therefore, the charge selectivity in each part of the PE stuffed nanofluidic diode would be significantly high under either forward or reverse bias (Figure 3a and b). This point is essential for larger nanopores (Figure S2). Moreover, the electric field distribution within the nanopore also contributes to the high ICR ratio. As shown in Figure 3c, the electric potential drop along the pore axis facilitates the migration of enriched counter-ions driven by the forward bias, resulting in a high-conducting state. In contrast, the reverse bias produces a high potential barrier of 4.0 × 107 V/m that strongly impedes transport of both cations and anions across the nanopore (Figure 3d), leading to a very low-conducting state.

3.3 Important factor of CGPs size in CGPNP model

The diameter of CGPs can regulate ion transport behavior in the PE-modified nanofluidic diode. For example, when the diameter of the CGPs is set to 2 nm, the steric hindrance and electrostatic interaction are reflected in the calculated current-voltage characteristics (Figure 4a), showing a highly asymmetric ion transport property. However, if the diameter of the CGPs is increased to 10 nm, the steric hindrance dominates the ion transport through the nanopore. The forward current at positive voltage remarkably diminishes, reducing the ICR ratio. We have systematically investigated the influence of the diameter of the CGPs from 2 to 10 nm. As shown in Figure 4b, the reduction in the diameter of the CGPs significantly promotes the ICR ratio from no more than 100 to nearly 1,200. However, reducing the diameter of CGPs would inevitably increase the complexity of the simulation systems. Once the diameter of CGPs is less than 2 nm, the validity of the continuity model would be questioned [63]. Therefore, to balance the computational scale and the calculation accuracy, the diameter of the CGPs should be between 2 and 4 nm.

Figure 4 The influence of coarse-grained parameters. (a) The IV curve of PE-modified nanofluidic diode under different coarse-grained parameters. (b) The shrinking of CGPs with a diameter from 10 to 2 nm promotes the ion rectification ratio from 99 to 1,197. (c) The total ion concentration distribution demonstrates that the ion enrichment becomes much more pronounced under the forward bias (+2V) when the particle diameter reduces from 10 to 2 nm. For comparison, the ion depletion (−2V) is not sensitive to the change in particle diameter.
Figure 4

The influence of coarse-grained parameters. (a) The IV curve of PE-modified nanofluidic diode under different coarse-grained parameters. (b) The shrinking of CGPs with a diameter from 10 to 2 nm promotes the ion rectification ratio from 99 to 1,197. (c) The total ion concentration distribution demonstrates that the ion enrichment becomes much more pronounced under the forward bias (+2V) when the particle diameter reduces from 10 to 2 nm. For comparison, the ion depletion (−2V) is not sensitive to the change in particle diameter.

The ion concentration profile shows the CGP-size-dependence of the ion concentration enrichment and depletion effect inside the nanopore (Figure 4c). The ion concentration enrichment at a positive voltage (Figure 4c, +V) becomes more significant with a smaller CGP diameter owing to the more vital electrostatic interaction between ions and charged PE particles. However, the ion concentration depletion at a negative voltage (Figure 4c, −V) is not very sensitive to the change in the CGP diameter. In the depletion state at a negative voltage, the high potential barrier impedes ion transport and is present mainly at the tiny region near the charge heterojunction (Figure 3d). In contrast, at a positive voltage, the ion concentration enrichment induced by the charged CGPs spreads over the entire nanopore. For this reason, the electrostatic interaction between the charged CGPs and the mobile ions is more pronounced in the enrichment state, showing enhanced ionic conductivity at positive voltage.

3.4 Extraordinary sensitivity to the state of heterojunction

The length of the CGPs-filled heterojunction is another critical factor for the PE-modified nanofluidic diode. To reveal the channel length dependence, we performed a simulation series with varied channel lengths (L) from 40 to 500 nm. Detailed model configurations are listed in Table S2. Figure 5a and b show that the increasing channel length remarkably enhances the forward current and promotes the corresponding ICR ratio. With the CGPs filled channel length larger than 200 nm, the calculated ICR ratio reaches a saturation value of about 750 (Figure 5b). This result implies that a critical channel length is necessary to achieve a relatively high ICR ratio.

Figure 5 A critical length of PE-modified heterojunction is dominant in achieving a high ICR. (a) The IV curve of nanofluidic diode with different channel lengths. (b) The ICR ratio rises with the increment of channel length from 40 to 200 nm and ultimately reaches saturation when the channel length is larger than 200 nm. (c) Under forward bias, the ion enrichment is facilitated by the prolonged channel length. In sharp contrast, the depletion effect is not sensitive to the length.
Figure 5

A critical length of PE-modified heterojunction is dominant in achieving a high ICR. (a) The IV curve of nanofluidic diode with different channel lengths. (b) The ICR ratio rises with the increment of channel length from 40 to 200 nm and ultimately reaches saturation when the channel length is larger than 200 nm. (c) Under forward bias, the ion enrichment is facilitated by the prolonged channel length. In sharp contrast, the depletion effect is not sensitive to the length.

The ion concentration profiles further unveil that, under forward bias (+V), the ion concentration enrichment is strengthened by the prolonged channel length (Figure 5c). The enrichment area is expanded, and the degree of ion concentration enrichment is promoted (Figure S3a). Thus, a sufficiently long heterojunction region provides abundant charge carriers for high ionic conductivity. In contrast, under reverse bias (−V), the depletion effect is not very sensitive to the length of the heterojunction (Figure 5c and Figure S3b). Notably, this channel length dependence is only found in PE-modified nanofluidic diodes but not in unmodified large nanopores (Figure S4).

These calculation results qualitatively reproduce many experimental results on PE-modified heterogeneous nanofluidic systems [48,68,69]. However, the ICR ratios derived from our calculations significantly exceed those observed in most empirical studies, as detailed in Table S7 of the Supplementary Information (SI) for comparing specific values [56,70–72]. This is particularly crucial since our theoretical model assumes an optimal PE modification of the nanopore, which is difficult to attain in real-world experiments.

Imperfect PE modification is considered in the CGPNP model to address this issue. Since chemical modification inside the nanopore is much more complex than that in the near-entrance area, a large portion of the interior of the nanopore would remain unmodified in actual experiments. To reflect the imperfect PE modification, in our model, a certain length from the center of the nanopore was unstuffed by CGPs (Figure 6a). Detailed model settings are listed in Table S3. As shown in Figure 6b, the calculated ICR ratio drastically falls with the portion of the unmodified region. Even the presence of a 20 nm long unmodified region in the center of the nanopore would lead to a considerable drop in the ICR ratio from 760 to 453. Once the portion of the unmodified region approaches 40%, the entire nanofluidic system becomes almost non-rectified. This result confirms that the heterogeneously charged region inside the nanopore plays a crucial role in regulating the asymmetric ion transport properties, consistent with the results shown in Figure 5b. The simulation results also explain the long-standing problems in many experimental works as to why only weak ICR effects are found in PE-modified nanofluidic systems [56,68,70–73].

Figure 6 The ion transport in imperfect modified nanofluidic diode. (a) Schematic of imperfect PE-modified model. (b) Compared to the perfectly full-filled model, the unmodified region in the center of the nanofluidic diode sharply reduces the ion rectification ratio. When the unmodified length increases more than 200 nm, the ICR ratio approaches close to 1. The total ion concentration profiles with different unmodified portions of 0% (c), 4% (d), and 60% (e). The degradation in the ICR ratio mainly results from the decline in ion enrichment rather than ion depletion.
Figure 6

The ion transport in imperfect modified nanofluidic diode. (a) Schematic of imperfect PE-modified model. (b) Compared to the perfectly full-filled model, the unmodified region in the center of the nanofluidic diode sharply reduces the ion rectification ratio. When the unmodified length increases more than 200 nm, the ICR ratio approaches close to 1. The total ion concentration profiles with different unmodified portions of 0% (c), 4% (d), and 60% (e). The degradation in the ICR ratio mainly results from the decline in ion enrichment rather than ion depletion.

The ion concentration profiles further unveil that the imperfect PE modification at the center of the nanofluidic diode weakens the ion enrichment rather than ion depletion (Figure 6c–e). It accordingly results in the degradation of the ICR ratio. For instance, even the absence of 4% PE particles in the center of the nanopore leads to an apparent decrement in ion concentration (Figure 6d and Figure S5). Consequently, this reduction in ion concentration leads to decreased ionic conductance and a lower ICR ratio (Figure S6). The extension of the unmodified area further undermines the ion enrichment state at positive voltage. Once the portion of the unmodified region approaches 60%, the ion concentration drops by more than 50% (Figure S5). In contrast, the depletion effect under reverse bias (−V) is not very sensitive to the length of the unmodified region, which is consistent with the conclusion in Figure 5c.

3.5 Accurate sensing systems developed from PE-modified nanofluidic diode

The unique responsiveness of the PE-modified nanofluidic diode to the immediate charge distribution and spatial constraints around the heterojunction area enables its potential refinement into an accurate sensor. We consider a nanochannel half-filled with PE particles. Under the forward bias, the negatively charged analyte can enter the nanofluidic diode, which is under ion enrichment (Figure 7a). The reverse bias is applied to attract positively charged analytes into the nanochannel (Figure 7b). The analytes here were modeled as five harmful charged particles. Moreover, the diameters of analyte particles are all set at 4 nm. The surface density is set as +0.06, 0, and −0.06 C/m2, corresponding to positive-charged, neutral, and negative-charged analytes. When five positively charged analyte particles are attracted to the heterojunction region by an electric field, the ICR ratio of the nanofluidic diode increases by 23.1% from 16.8 to 20.7. Positively charged analyte particles in the heterojunction enhance charge asymmetry, increasing ion current rectification.

Figure 7 The chemical sensors developed from the nanofluidic diode. (a) The charged analyte can be drawn into a nanofluidic diode under applied bias. (b) The entrance of five analyte particles to the heterojunction region brings a noticeable change to the ICR ratio. (c) The nanofluidic diode under an ion enrichment state can be further developed as an amount-response sensor for negatively charged analytes. Even if one negatively charged analyte enters the channel, it can cause measurable changes in the ICR ratio. The analytes were modeled as five negatively charged particles with diameters of 4 nm. The surface density is set as +0.06, 0, and −0.06 C/m2, corresponding to positive-charged, neutral, and negative-charged analytes.
Figure 7

The chemical sensors developed from the nanofluidic diode. (a) The charged analyte can be drawn into a nanofluidic diode under applied bias. (b) The entrance of five analyte particles to the heterojunction region brings a noticeable change to the ICR ratio. (c) The nanofluidic diode under an ion enrichment state can be further developed as an amount-response sensor for negatively charged analytes. Even if one negatively charged analyte enters the channel, it can cause measurable changes in the ICR ratio. The analytes were modeled as five negatively charged particles with diameters of 4 nm. The surface density is set as +0.06, 0, and −0.06 C/m2, corresponding to positive-charged, neutral, and negative-charged analytes.

On the other hand, when five negatively charged analyte particles enter the heterojunction region driven by the electric field force, the ICR ratio of nanofluidic diode drastically drops from 16.8 to 1.85, with the magnitude up to 89.0%, which is much more evident than that produced by the positively charged analyte. The reason is that the response to the negatively charged analyte is based on the ion enrichment state of the nanofluidic diode, which is much more dominant in the ICR rather than ion depletion (Figures 4c, 5c and 6c). As expected, when the neutral analyte enters the nanopore, the ICR ratio shows a tiny change (∼3.59%) because the neutral analyte only brings the steric hindrance without affecting the charge asymmetry.

Finally, it can be further developed into an amount-response sensor based on the sensitive response to negative analytes of the nanofluidic diode under an ion enrichment state. Even if only one analyte particle enters the channel, it can cause measurable changes in the ICR (Figure 7c). As more analytes enter the nanofluidic diode, the change in ICR gradually rises from 49.3 to 89.0%. This amount-response property can be utilized for high-sensitivity chemical sensing applications. Notably, the nanofluidic diode’s capacity for sensitive detection is not limited to negatively charged analytes; it can be adapted for positively charged analytes through the engineering of complementary heterojunction structures, such as a diode partially filled with positively charged PE particles.

4 Conclusion

In conclusion, we present the calculation results of ion transport through PE-modified nanopores with a coarse-grained CGPNP method. The numerical calculation results reveal that the PE-around ion selectivity in the modified nanofluidic diodes accounts for the high ICR ratio. Intriguingly, the ion transport state in PE-modified nanofluidic diode is sensitive to steric hindrance and charge distribution near the heterojunction region under the ion enrichment state. Based on this property, we demonstrate a heterogeneous structure that can be utilized as a high-sensitivity sensor response to charged analytes. These findings are beneficial for understanding the mechanism of asymmetric ion transport in PE-modified nanofluidic systems and provide innovative guidance for the designing and optimizing of high-performance chemical sensors.

# These authors contributed equally to this work and should be considered first co-authors.

  1. Funding information: This work was financially supported by the National Natural Science Foundation of China (12175118, 11875076, and 11335003), the Fundamental Research Funds for the Central Universities of China (20720190127), and the Natural Science Foundation of Fujian Province of China (No. 2019J05015).

  2. Author contributions: All authors have accepted responsibility for the entire content of this manuscript and approved its submission.

  3. Conflict of interest: The authors state no conflict of interest.

  4. Data availability statement: The datasets generated and/or analysed during the current study are available from the corresponding author on reasonable request.

References

[1] Garaj S, Hubbard W, Reina A, Kong J, Branton D, Golovchenko JA. Graphene as a subnanometre trans-electrode membrane. Nature. 2010;467(7312):190–U73.10.1038/nature09379Search in Google Scholar PubMed PubMed Central

[2] Li J, Gershow M, Stein D, Brandin E, Golovchenko JA. DNA molecules and configurations in a solid-state nanopore microscope. Nat Mater. 2003;2(9):611–5.10.1038/nmat965Search in Google Scholar PubMed

[3] Venkatesan BM, Bashir R. Nanopore sensors for nucleic acid analysis. Nat Nanotechnol. 2011;6(10):615–24.10.1038/nnano.2011.129Search in Google Scholar PubMed

[4] Karan S, Jiang ZW, Livingston AG. Sub-10 nm polyamide nanofilms with ultrafast solvent transport for molecular separation. Science. 2015;348(6241):1347–51.10.1126/science.aaa5058Search in Google Scholar PubMed

[5] Striemer CC, Gaborski TR, McGrath JL, Fauchet PM. Charge- and size-based separation of macromolecules using ultrathin silicon membranes. Nature. 2007;445(7129):749–53.10.1038/nature05532Search in Google Scholar PubMed

[6] Surwade SP, Smirnov SN, Vlassiouk IV, Unocic RR, Veith GM, Dai S, et al. Water desalination using nanoporous single-layer graphene. (10, 459, 2015) Nat Nanotechnol. 2016;11(11):995.10.1038/nnano.2016.240Search in Google Scholar PubMed

[7] Yang Q, Su Y, Chi C, Cherian CT, Huang K, Kravets VG, et al. Ultrathin graphene-based membrane with precise molecular sieving and ultrafast solvent permeation. Nat Mater. 2017;16(12):1198.10.1038/nmat5025Search in Google Scholar PubMed

[8] Celebi K, Buchheim J, Wyss RM, Droudian A, Gasser P, Shorubalko I, et al. Ultimate permeation across atomically thin porous graphene. Science. 2014;344(6181):289–92.10.1126/science.1249097Search in Google Scholar PubMed

[9] Koenig SP, Wang L, Pellegrino J, Bunch JS. Selective molecular sieving through porous graphene. Nat Nanotechnol. 2012;7(11):728–32.10.1038/nnano.2012.162Search in Google Scholar PubMed

[10] Williams CD, Carbone P, Siperstein FR. Computational characterisation of dried and hydrated graphene oxide membranes. Nanoscale. 2018;10(4):1946–56.10.1039/C7NR07612FSearch in Google Scholar PubMed

[11] Park HB, Kamcev J, Robeson LM, Elimelech M, Freeman BD. Maximizing the right stuff: The trade-off between membrane permeability and selectivity. Science. 2017;356(6343):10.10.1126/science.aab0530Search in Google Scholar PubMed

[12] Siria A, Bocquet ML, Bocquet L. New avenues for the large-scale harvesting of blue energy. Nat Rev Chem. 2017;1(11):9.10.1038/s41570-017-0091Search in Google Scholar

[13] Zheng ZK, Grünker R, Feng XL. Synthetic two-dimensional materials: a new paradigm of membranes for ultimate separation. Adv Mater. 2016;28(31):6529–45.10.1002/adma.201506237Search in Google Scholar PubMed

[14] Chen T, Duan M, Shi P, Fang SW. Ultrathin nanoporous membranes derived from protein-based nanospheres for high-performance smart molecular filtration. J Mater Chem A. 2017;5(38):20208–16.10.1039/C7TA06800JSearch in Google Scholar

[15] Guo W, Tian Y, Jiang L. Asymmetric ion transport through ion-channel-mimetic solid-state nanopores. Acc Chem Res. 2013;46(12):2834–46.10.1021/ar400024pSearch in Google Scholar PubMed

[16] Cai JC, He QF, Song LB, Han LH, Liu B, Zhao YD, et al. Ion current rectification behavior of conical nanopores filled with spatially distributed fixed charges. J Phys Chem C. 2019;123(43):26299–308.10.1021/acs.jpcc.9b06872Search in Google Scholar

[17] Kosinska ID, Goychuk I, Kostur M, Schmid G, Hanggi P. Rectification in synthetic conical nanopores: a one-dimensional Poisson-Nernst-Planck model. Phys Rev E, Stat, Nonlinear, Soft Matter Phys. 2008;77(3 Pt 1):031131.10.1103/PhysRevE.77.031131Search in Google Scholar PubMed

[18] Liu Q, Wang Y, Guo W, Ji H, Xue J, Ouyang Q. Asymmetric properties of ion transport in a charged conical nanopore. Phys Rev E, Stat, Nonlinear, Soft Matter Phys. 2007;75(5 Pt 1):051201.10.1103/PhysRevE.75.051201Search in Google Scholar PubMed

[19] Gindt BP, Abebe DG, Tang ZJ, Lindsey MB, Chen J, Elgammal RA, et al. Nanoporous polysulfone membranes via a degradable block copolymer precursor for redox flow batteries. J Mater Chem A. 2016;4(11):4288–95.10.1039/C6TA00698ASearch in Google Scholar

[20] Wang PF, Wang M, Liu F, Ding SY, Wang X, Du GH, et al. Ultrafast ion sieving using nanoporous polymeric membranes. Nat Commun. 2018;9:9.10.1038/s41467-018-02941-6Search in Google Scholar PubMed PubMed Central

[21] Tsutsui M, Yokota K, Nakada T, Arima A, Tonomura W, Taniguchi M, et al. Silicon substrate effects on ionic current blockade in solid-state nanopores. Nanoscale. 2019;11(10):4190–7.10.1039/C8NR09042DSearch in Google Scholar

[22] Ying YL, Li YJ, Mei J, Gao R, Hu YX, Long YT, et al. Manipulating and visualizing the dynamic aggregation-induced emission within a confined quartz nanopore. Nat Commun. 2018;9:6.10.1038/s41467-018-05832-ySearch in Google Scholar PubMed PubMed Central

[23] Kim J, Kim SJ, Kim DK. Energy harvesting from salinity gradient by reverse electrodialysis with anodic alumina nanopores. Energy. 2013;51:413–21.10.1016/j.energy.2013.01.019Search in Google Scholar

[24] Cheng HF, Zhou Y, Feng YP, Geng WX, Liu QF, Guo W, et al. Electrokinetic energy conversion in self-assembled 2D nanofluidic channels with Janus nanobuilding blocks. Adv Mater. 2017;29(23):7.10.1002/adma.201700177Search in Google Scholar PubMed

[25] Fu YJ, Guo X, Wang YH, Wang XW, Xue JM. An atomically-thin graphene reverse electrodialysis system for efficient energy harvesting from salinity gradient. Nano Energy. 2019;57:783–90.10.1016/j.nanoen.2018.12.075Search in Google Scholar

[26] Garoli D, Mosconi D, Miele E, Maccaferri N, Ardini M, Giovannini G, et al. Hybrid plasmonic nanostructures based on controlled integration of MoS2 flakes on metallic nanoholes. Nanoscale. 2018;10(36):17105–11.10.1039/C8NR05026KSearch in Google Scholar PubMed

[27] Pial TH, Das S. Specific ion and electric field controlled diverse ion distribution and electroosmotic transport in a polyelectrolyte brush grafted nanochannel. J Phys Chem B. 2022;126(49):10543–53.10.1021/acs.jpcb.2c05524Search in Google Scholar PubMed

[28] Wang H, Wang C, Liu L, Zhao HY. Synthesis of polymer brushes and removable surface nanostructures on tannic acid coatings. Macromolecules. 2023;56(4):1643–51.10.1021/acs.macromol.2c02081Search in Google Scholar

[29] Ahmadi E, Sadeghi A, Chakraborty S. Slip-coupled electroosmosis and electrophoresis dictate DNA translocation speed in solid-state nanopores. Langmuir. 2023;39(35):12292–301.10.1021/acs.langmuir.3c01230Search in Google Scholar PubMed

[30] Heydari A, Khatibi M, Ashrafizadeh SN. Smart nanochannels: tailoring ion transport properties through variation in nanochannel geometry. Phys Chem Chem Phys. 2023;25(39):26716–36.10.1039/D3CP03768ASearch in Google Scholar PubMed

[31] Lin CY, Combs C, Su YS, Yeh LH, Siwy ZS. Rectification of concentration polarization in mesopores leads to high conductance ionic diodes and high performance osmotic power. J Am Chem Soc. 2019;141(8):3691–8.10.1021/jacs.8b13497Search in Google Scholar PubMed

[32] Moses K, Van Tassel PR. Polyelectrolyte influence on beta-hairpin peptide stability: a simulation study. J Phys Chem B. 2023;127(1):359–70.10.1021/acs.jpcb.2c06641Search in Google Scholar PubMed

[33] Wang H, Tang HR, Yang C, Li YX. Selective single molecule nanopore sensing of microRNA Using PNA functionalized magnetic core-shell Fe3O4-Au nanoparticles. Anal Chem. 2019;91(12):7965–70.10.1021/acs.analchem.9b02025Search in Google Scholar PubMed

[34] Mendez-Ortiz W, Stebe KJ, Lee D. Ionic strength-dependent assembly of polyelectrolyte-nanoparticle membranes via interfacial complexation at a water-water interface. ACS Nano. 2022;16(12):21087–97.10.1021/acsnano.2c08916Search in Google Scholar PubMed

[35] Ren YL, Qi PF, Wan YH, Chen CL, Chen XR, Feng SC, et al. Planting anion channels in a negatively charged polyamide layer for highly selective nanofiltration separation. Env Sci Technol. 2022;56(24):18018–29.10.1021/acs.est.2c06582Search in Google Scholar PubMed

[36] Tsou TY, Hsu JP. Nanofiltration through cylindrical nanopores end-grafted with polyelectrolytes. J Membr Sci. 2023;686:14.10.1016/j.memsci.2023.121968Search in Google Scholar

[37] Dabhade A, Chauhan A, Chaudhury S. Coupling effects of electrostatic interactions and salt concentration gradient in polymer translocation through a nanopore: a coarse-grained molecular dynamics simulations study. ChemPhysChem. 2023;24(4):7.10.1002/cphc.202200666Search in Google Scholar PubMed

[38] Kamerlin SCL, Vicatos S, Dryga A, Warshel A. Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems. In: Leone SR, Cremer PS, Groves JT, Johnson MA, editors. Annual Review of Physical Chemistry. Vol. 62. Palo Alto: Annual Reviews; 2011. p. 41–64.10.1146/annurev-physchem-032210-103335Search in Google Scholar PubMed

[39] Dhamankar S, Webb MA. Chemically specific coarse-graining of polymers: Methods and prospects. J Polym Sci. 2021;59(22):2613–43.10.1002/pol.20210555Search in Google Scholar

[40] Jin J, Pak AJ, Durumeric AE, Loose TD, Voth GA. Bottom-up coarse-graining: Principles and perspectives. J Chem Theory Comput. 2022;18(10):5759–91.10.1021/acs.jctc.2c00643Search in Google Scholar PubMed PubMed Central

[41] Muller-Plathe F. Coarse-graining in polymer simulation: from the atomistic to the mesoscopic scale and back. Chemphyschem: A Eur J Chem Phys Phys Chem. 2002;3(9):755–69.10.1002/1439-7641(20020916)3:9<754::AID-CPHC754>3.0.CO;2-USearch in Google Scholar

[42] He XD, Chen JL. A molecular dynamics study on ionic current rectification of ultra-narrow conical nanopore. J Mol Liq. 2023;387:7.10.1016/j.molliq.2023.122679Search in Google Scholar

[43] Gilles FM, Tagliazucchi M, Azzaroni O, Szleifer I. Ionic conductance of polyelectrolyte-modified nanochannels: nanoconfinement effects on the coupled protonation equilibria of polyprotic brushes. J Phys Chem C. 2016;120(9):4789–98.10.1021/acs.jpcc.5b11788Search in Google Scholar

[44] Tagliazucchi M, Rabin Y, Szleifer I. Transport rectification in nanopores with outer membranes modified with surface charges and polyelectrolytes. ACS Nano. 2013;7(10):9085–97.10.1021/nn403686sSearch in Google Scholar

[45] Tagliazucchi M, Szleifer I. How does confinement change ligand–receptor binding equilibrium? Protein binding in nanopores and nanochannels. J Am Chem Soc. 2015;137(39):12539–51.10.1021/jacs.5b05032Search in Google Scholar

[46] Tagliazucchi M, Rabin Y, Szleifer I. Ion transport and molecular organization are coupled in polyelectrolyte-modified nanopores. J Am Chem Soc. 2011;133(44):17753–63.10.1021/ja2063605Search in Google Scholar

[47] Cao LX, Xiao FL, Feng YP, Zhu WW, Geng WX, Yang JL, et al. Anomalous channel-length dependence in nanofluidic osmotic energy conversion. Adv Funct Mater. 2017;27(9):7.10.1002/adfm.201604302Search in Google Scholar

[48] Karnik R, Duan C, Castelino K, Daiguji H, Majumdar A. Rectification of ionic current in a nanofluidic diode. Nano Lett. 2007;7(3):547–51.10.1021/nl062806oSearch in Google Scholar

[49] Singer A, Gillespie D, Norbury J, Eisenberg RS. Singular perturbation analysis of the steady-state Poisson-Nernst-Planck system: Applications to ion channels. Eur J Appl Maths. 2008;19(5):541–69.10.1017/S0956792508007596Search in Google Scholar

[50] Vlassiouk I, Smirnov S, Siwy Z. Ionic selectivity of single nanochannels. Nano Lett. 2008;8(7):1978–85.10.1021/nl800949kSearch in Google Scholar

[51] Wang JT, Zhang MH, Zhai J, Jiang L. Theoretical simulation of the ion current rectification (ICR) in nano-pores based on the Poisson-Nernst-Planck (PNP) model. Phys Chem Chem Phys. 2014;16(1):23–32.10.1039/C3CP51712HSearch in Google Scholar PubMed

[52] Klika V, Gaffney EA. Upscaling the Poisson–Nernst–Planck equations for ion transport in weakly heterogeneous charged porous media. Appl Maths Lett. 2023;137:108482.10.1016/j.aml.2022.108482Search in Google Scholar

[53] Siwy ZS. Ion‐current rectification in nanopores and nanotubes with broken symmetry. Adv Funct Mater. 2006;16(6):735–46.10.1002/adfm.200500471Search in Google Scholar

[54] Maffeo C, Bhattacharya S, Yoo J, Wells D, Aksimentiev A. Modeling and simulation of ion channels. Chem Rev. 2012;112(12):6250–84.10.1021/cr3002609Search in Google Scholar PubMed PubMed Central

[55] Coalson RD, Kurnikova MG. Poisson–Nernst–Planck theory of ion permeation through biological channels. Biological Membrane Ion Channels: Dynamics, Structure, and Applications. New York, NY: Springer New York; 2007. p. 449–84.10.1007/0-387-68919-2_13Search in Google Scholar

[56] Jiang YN, Feng YP, Su JJ, Nie JX, Cao LX, Mao LQ, et al. On the origin of ionic rectification in DNA-stuffed nanopores: the breaking and retrieving symmetry. J Am Chem Soc. 2017;139(51):18739–46.10.1021/jacs.7b11732Search in Google Scholar PubMed

[57] Tagliazucchi M, Azzaroni O, Szleifer I. Responsive polymers end-tethered in solid-state nanochannels: when nanoconfinement really matters. J Am Chem Soc. 2010;132(35):12404–11.10.1021/ja104152gSearch in Google Scholar PubMed

[58] Ramachandran A, Guo QJ, Iqbal SM, Liu YL. Coarse-grained molecular dynamics simulation of DNA trans location in chemically modified nanopores. J Phys Chem B. 2011;115(19):6138–48.10.1021/jp101052xSearch in Google Scholar PubMed PubMed Central

[59] Modi N, Winterhalter M, Kleinekathöfer U. Computational modeling of ion transport through nanopores. Nanoscale. 2012;4(20):6166–80.10.1039/c2nr31024dSearch in Google Scholar PubMed

[60] Xiao FL, Ji DY, Li H, Tang JL, Feng YP, Ding LP, et al. A general strategy to simulate osmotic energy conversion in multi-pore nanofluidic systems. Mat Chem Front. 2018;2(5):935–41.10.1039/C8QM00031JSearch in Google Scholar

[61] Xiao FL, Ji DY, Li H, Tang JL, Feng YP, Ding LP, et al. Simulation of osmotic energy conversion in nanoporous materials: a concise single-pore model. Inorg Chem Front. 2018;5(7):1677–82.10.1039/C8QI00397ASearch in Google Scholar

[62] Cao LX, Wen Q, Feng YP, Ji DY, Li H, Li N, et al. On the origin of ion selectivity in ultrathin nanopores: insights for membrane-scale osmotic energy conversion. Adv Funct Mater. 2018;28(39):8.10.1002/adfm.201804189Search in Google Scholar

[63] Corry B, Kuyucak S, Chung SH. Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus brownian dynamics. Biophys J. 2000;78(5):2364–81.10.1016/S0006-3495(00)76781-6Search in Google Scholar PubMed PubMed Central

[64] Kovarik ML, Zhou K, Jacobson SC. Effect of conical nanopore diameter on ion current rectification. J Phys Chem B. 2009;113(49):15960–6.10.1021/jp9076189Search in Google Scholar PubMed

[65] Han J-H, Kim KB, Kim HC, Chung TD. Ionic circuits based on polyelectrolyte diodes on a microchip. Angew Chem (Int ed Engl). 2009;48(21):3830–3.10.1002/anie.200900045Search in Google Scholar PubMed

[66] Lin CY, Hsu JP, Yeh LH. Rectification of ionic current in nanopores functionalized with bipolar polyelectrolyte brushes. Sens Actuator B-Chem. 2018;258:1223–9.10.1016/j.snb.2017.11.172Search in Google Scholar

[67] Pu Q, Yun J, Temkin H, Liu S. Ion-enrichment and ion-depletion effect of nanochannel structures. Nano Lett. 2004;4(6):1099–103.10.1021/nl0494811Search in Google Scholar

[68] Yameen B, Ali M, Neumann R, Ensinger W, Knoll W, Azzaroni O. Single conical nanopores displaying pH-tunable rectifying characteristics. manipulating ionic transport with zwitterionic polymer brushes. J Am Chem Soc. 2009;131(6):2070–1.10.1021/ja8086104Search in Google Scholar PubMed

[69] Cheng LJ, Guo LJ. Nanofluidic diodes. Chem Soc Rev. 2010;39(3):923–38.10.1039/B822554KSearch in Google Scholar

[70] Ali M, Yameen B, Cervera J, Ramirez P, Neumann R, Ensinger W, et al. Layer-by-layer assembly of polyelectrolytes into ionic current rectifying solid-state nanopores: insights from theory and experiment. J Am Chem Soc. 2010;132(24):8338–48.10.1021/ja101014ySearch in Google Scholar PubMed

[71] Guo W, Xia HW, Cao LX, Xia F, Wang ST, Zhang GZ, et al. Integrating ionic gate and rectifier within one solid-state nanopore via modification with dual-responsive copolymer brushes. Adv Funct Mater. 2010;20(20):3561–7.10.1002/adfm.201000989Search in Google Scholar

[72] Yameen B, Ali M, Neumann R, Ensinger W, Knoll W, Azzaroni O. Synthetic proton-gated ion channels via single solid-state nanochannels modified with responsive polymer brushes. Nano Lett. 2009;9(7):2788–93.10.1021/nl901403uSearch in Google Scholar PubMed

[73] Guo W, Xia HW, Xia F, Hou X, Cao LX, Wang L, et al. Current rectification in temperature-responsive single nanopores. ChemPhysChem. 2010;11(4):859–64.10.1002/cphc.200900989Search in Google Scholar PubMed

Received: 2023-11-09
Revised: 2024-03-08
Accepted: 2024-04-17
Published Online: 2024-05-29

© 2024 the author(s), published by De Gruyter

This work is licensed under the Creative Commons Attribution 4.0 International License.

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  178. Smart bionanomaterials for treatment and diagnosis of inflammatory bowel disease
  179. Beyond conventional therapy: Synthesis of multifunctional nanoparticles for rheumatoid arthritis therapy
https://doi.org/10.1515/ntrev-2024-0029
Keywords for this article
polyelectrolyte-modified nanopores; ion transport; coarse-grained Poisson–Nernst–Planck method; nanofluidic diodes; chemical sensor
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  175. Controlling pore size during the synthesis of hydroxyapatite nanoparticles using CTAB by the sol–gel hydrothermal method and their biological activities
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  179. Beyond conventional therapy: Synthesis of multifunctional nanoparticles for rheumatoid arthritis therapy
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