Search Results (811)

Alexandrium spp. blooms and paralytic shellfish poisoning pose serious economic threats to coastal communities and aquaculture. This study evaluated the removal efficiency of two Alexandrium minutum strains using natural kaolinite clay (KNAC) and kaolinite with polyaluminum chloride (KPAC) at three concentrations (0.1, 0.25, and 0.3 g L⁻¹), two pH levels (7 and 8), and two cell densities (1.0 and 2.0 × 10⁷ cells L⁻¹) in seawater. PAC significantly enhanced removal, achieving up to 100% efficiency within two hours. Zeta potential analysis showed that PAC imparted positive surface charges to the clay, promoting electrostatic interactions with negatively charged algal cells and enhancing flocculation through Van der Waals attractions. In addition, the study conducted a cost estimate analysis and found that treating one hectare at 0.1 g L⁻¹ would cost approximately USD 31.75. The low KPAC application rate also suggests minimal environmental impact on benthic habitats. Full article

The pressure response and structural stability of fluoranthene crystals up to 8 GPa are investigated using Raman spectroscopy. The vast majority of the Raman peaks upshift with pressure, either sublinearly (intermolecular modes) or quasilinearly (intramolecular modes), reflecting the bond hardening upon volume contraction. The frequency shifts, accompanied by intensity redistribution among the Raman peaks, are by far larger for the former than those for the latter vibrations, compatible with their nature: weak intermolecular van der Waals interactions and strong intramolecular covalent bonds. For pressures higher than 2 GPa, changes in the linear pressure coefficients of the Raman peak frequencies, mainly towards lower values, are observed. These are more pronounced for intermolecular and C–H stretching vibrations. For P > 4.7 GPa, the pressure coefficients are further reduced, while all the observed pressure-induced changes are fully reversible upon pressure release. These changes may be interpreted either as two structural transitions at ~2 and ~4.7 GPa or as a single, but sluggish, structural phase transition in the pressure range 2–4.7 GPa, featuring the reorientation and different stacking of the molecules. From the high-pressure Raman data in the low-pressure phase, a bulk modulus of ~7 GPa at ambient pressure is estimated for solid fluoranthene. Full article

Electrostatic adsorption plays a crucial role in nanoparticle-based drug delivery, enabling the targeted and reversible loading of biomolecules onto nanoparticles. This review explores the fundamental mechanisms governing nanoparticle–biomolecule interactions, with a focus on electrostatics, van der Waals forces, hydrogen bonding, and protein corona formation. Various functionalization strategies—including covalent modification, polymer coatings, and layer-by-layer assembly—have been employed to enhance electrostatic binding; however, each presents trade-offs in terms of stability, complexity, and specificity. Emerging irradiation-based techniques offer potential for direct modulation of surface charge without the addition of chemical groups, yet they remain underexplored. Accurate characterization of biomolecule adsorption is equally critical; however, the limitations of individual techniques also pose challenges to this endeavor. Spectroscopic, microscopic, and electrokinetic methods each contribute unique insights but require integration for a comprehensive understanding. Overall, a multimodal approach to both functionalization and characterization is essential for advancing nanoparticle systems toward clinical drug delivery applications. Full article

Icariin (ICA) is widely recognized for its health benefits. In this work, we examined the intermolecular interactions between ICA and proteinase K (PK) via multi-spectroscopic techniques and molecular simulations. The experimental findings revealed that ICA quenched the fluorescence emission of PK by forming a noncovalent complex. Both hydrogen bonding and van der Waals interactions are essential for the complex’s formation. Then Förster resonance energy transfer (FRET), competitive experiments, and synchronous fluorescence spectroscopy were adopted to verify the formation of the complex. Molecular docking studies demonstrated that ICA could spontaneously bind to PK by hydrogen bonding and hydrophobic interactions, which is consistent with the spectroscopic results. The PK-ICA complex’s dynamic stability was evaluated using a 50 ns molecular dynamics (MD) simulation. The simulation results revealed no significant structural deformation or positional changes throughout the entire simulation period. The complex appears to be rather stable, as seen by the average root-mean-square deviation (RMSD) fluctuations for the host protein in the PK-ICA complex of 1.08 Å and 3.09 Å. These outcomes of molecular simulations suggest that ICA interacts spontaneously and tightly with PK, consistent with the spectroscopic findings. The approach employed in this research presents a pragmatic and advantageous method for examining protein–ligand interactions, as evidenced by the concordance between empirical and theoretical findings. Full article

Experimental and theoretical studies were applied to investigate the adsorption properties of testagen (KEDG) peptide on copper surfaces in sodium chloride solution and, implicitly, its inhibition efficiency (IE) on metal corrosion. The tetrapeptide synthesized from the amino acids lysine (Lys), glutamic acid (Glu), aspartic acid (Asp), and glycine (Gly), named as H-Lys-Glu-Asp-Gly-OH, achieved an inhibition efficiency of around 86% calculated from electrochemical measurements, making KEDG a promising new copper corrosion inhibitor. The experimental data were best fitted to the Freundlich adsorption isotherm. The standard free energy of adsorption ($\mathsf{\Delta }{\mathrm{G}}_{\mathrm{a}\mathrm{d}\mathrm{s}}^{\mathrm{o}}$) reached the value of −30.86 kJ mol⁻¹, which revealed a mixed action mechanism of tetrapeptide, namely, chemical and physical spontaneous adsorption. The copper surface characterization was performed using optical microscopy and SEM/EDS analysis. In the KEDG presence, post-corrosion, SEM images showed a network surface morphology including microdeposits with an acicular appearance, and EDS analysis highlighted an upper surface layer consisting of KEDG, sodium chloride, and copper corrosion compounds. The computational study based on DFT and Monte Carlo simulation confirmed the experimental results and concluded that the spontaneous adsorption equilibrium establishment was the consequence of the contribution of noncovalent (electrostatic, van der Waals) interactions and covalent bonds. Full article

Van der Waals (vdW) heterostructures, typically composed of two-dimensional (2D) atomic layers, have attracted significant attention over the past few decades. Their performance is closely dependent on their composition and interlayer interactions. In this study, we constructed four types of 2D hexagonal BP monolayer (h-BP)/borophosphene vdW heterostructures with different stacking orders: (i) B-B stacking, (ii) P-P stacking, (iii) moire-I, and (iv) moire-II. Their structural stability and their electronic and optical properties were explored by using first-principles calculations. The results show that h-BP/borophosphene heterostructures can maintain their configurations with good structural stability and minimal lattice mismatch. All vdW heterostructures exhibit semiconducting characteristics, and their band gaps are highly dependent on interlayer stacking orders. Due to the regular atomic arrangement and enhanced interlayer dipole interactions, the B-B stacking bilayer opens a relatively large band gap of 0.157 eV, while the moire-II bilayer exhibits a very small band gap of 0.045 eV because of its irregular atom arrangements. By calculating the complex dielectric function, optical absorption spectra of B-B and P-P stacking bilayers were discussed. This study suggests that h-BP/borophosphene heterostructures have desirable optical properties, broadening the potential applications of the constituent monolayers. Full article

In this study, the thermal effectiveness of thermally conductive concrete pavements (TCPs) using silicon carbide (SiC) as a fine aggregate replacement was investigated, compared with that of ordinary Portland cement pavements (OPCPs). The most important purpose of this study is to improve the thermal performance of concrete pavement. Additionally, this study utilized improved thermal properties to enhance the efficiency of pavement heating to prevent icing and snow stacking. Both mixtures met the Korean standards for air content (4.5–6%) and slump (80–150 mm), demonstrating adequate workability. TCP exhibited a higher mechanical performance, with average compressive and flexural strengths of 42.88 MPa and 7.35 MPa, respectively, exceeding the required targets of a 30 MPa compressive strength and a 4.5 MPa flexural strength. The improved strength was mainly attributed to the filler effect and partly due to the van der Waals interactions of the SiC particles. Thermal conductivity tests showed a significant improvement in the TCP (3.20 W/mK), which was approximately twice that of OPCP (1.59 W/mK), indicating an enhanced heat transfer efficiency. In winter field tests, TCP effectively maintained high surface temperatures, overcoming heat loss and outperforming the OPCP. In the site experiment, thermal efficiency was clearly shown in the temperature at the center of the TCP, which was 3.5 °C higher than at the center of the OPCP at the coldest time. These improvements suggest that SiC-reinforced concrete pavements can be practically utilized for effective snow removal and ice mitigation in road systems. Full article

The electrocatalytic CO₂ reduction reaction (CO₂RR) offers an energy-saving and environmentally friendly approach to producing hydrocarbon fuels. The use of a gas diffusion electrode (GDE) flow cell has generally improved the rate of CO₂RR, while the gas diffusion layer (GDL) remains a significant challenge. In this study, we successfully engineered a novel metal–organic framework (MOF) heterojunction through the controlled coating of zeolitic imidazolate framework (ZIF-L) on ultrathin nickel—metal–organic framework (Ni-MOF) nanosheets. This innovative architecture simultaneously integrates GDL functionality and exposes abundant solid–liquid–gas triple-phase boundaries. The resulting Ni-MOF@ZIF-L heterostructure demonstrates exceptional performance, achieving a formate Faradaic efficiency of 92.4% while suppressing the hydrogen evolution reaction (HER) to 6.7%. Through computational modeling of the optimized heterojunction configuration, we further elucidated its competitive adsorption behavior and electronic modulation effects. The experimental and theoretical results demonstrate an improvement in electrochemical CO₂ reduction activity with suppressed hydrogen evolution for the heterojunction because of its hydrophobic interface, good electron transfer capability, and high CO₂ adsorption at the catalyst interface. This work provides a new insight into the rational design of porous crystalline materials in electrocatalytic CO₂RR. Full article

The Maowusu Desert is still suffering from serious ecological and environmental security issues such as wind erosion and desertification, influenced by both natural and human factors. The amendment of aeolian sandy soil with soft rock material presents an effective erosion control strategy, leveraging the complementary structural and compositional properties of both materials to enhance soil stability and rehabilitate degraded environments. However, there are few studies that investigate the effect of soil surface electrochemical properties and particle interaction forces on the structural stability of compound soils with soft rock and sandy soil. This decade-long field study quantified the electrochemical properties and interparticle forces and their synergistic effects on structural stability across five soft rock-to-aeolian sandy soil blend volume ratios (0:1, 1:5, 1:2, 1:1, 1:0) within the 0–30 cm soil profile. The results showed that the soil organic matter (SOM), specific surface area (SSA), and cation exchange capacity (CEC) significantly increased with the incorporation of soft rock material. For five different proportions, with the addition of soft rock and the extension of planting years, the content of SOM increased from 5.65 g·kg⁻¹ to 11.36 g·kg⁻¹, the CEC varied from 4.68 cmol kg⁻¹ to 17.91 cmol kg⁻¹, while the σ₀ importantly decreased from 1.8 to 0.47 c m⁻² (p < 0.05). For the interaction force at 2.4 nm between soil particles, the absolute value of van der Waals attractive force increased from 0.10 atm to 0.38 atm, and the net force decreased from 0.09 atm to −0.30 atm after the incorporation ratios of soft rock from 0:1 to 1:1. There was a significant negative correlation between the resultant net force between the particles of compound soil and the SSA and CEC. These results indicate that the addition of soft rock material positively improves the surface electrochemical properties and internal forces between aeolian sandy soil particles, further enhancing its structural stability. This study establishes a foundational theoretical framework for advancing our mechanistic understanding of aeolian sand stabilization and ecosystem rehabilitation in the Mu Us Desert. Full article

Constructing a heterojunction is considered one of the most effective strategies for enhancing photocatalytic activity. Herein, we employ Ta₃N₅ and tubular graphitic carbon nitride (TCN) to construct a Ta₃N₅/TCN van der Waals heterojunction via electrostatic self-assembly for enhanced photocatalytic H₂ production. SEM and TEM results show that Ta₃N₅ particles (~300 nm in size) are successfully anchored onto the surface of TCN. The light absorption capability of the Ta₃N₅/TCN heterojunction is between those of Ta₃N₅ and TCN. The strong interaction between Ta₃N₅ and TCN with different energy structures (Fermi levels) by van der Waals force renders the formation of an interfacial electric field to drive the separation and transfer of photogenerated charge carriers in the Ta₃N₅/TCN heterojunction, as evidenced by the photoluminescence (PL) and photoelectrochemical (PEC) characterization results. Consequently, the optimal Ta₃N₅/TCN heterojunction exhibits a remarkable H₂ production rate of 12.73 mmol g⁻¹ h⁻¹ under visible light irradiation, which is 3.3 and 16.8 times those of TCN and Ta₃N₅, respectively. Meanwhile, the cyclic experiment demonstrates excellent stability of the Ta₃N₅/TCN heterojunction upon photocatalytic reaction. Notably, the photocatalytic performance of 15-TaN/TCN outperforms the most previously reported CN-based and Ta₃N₅-based heterojunctions for H₂ production. This work provides a new avenue for the rational design of CN-based van der Waals heterojunction photocatalysts with enhanced photocatalytic activity. Full article

The transport properties of one-dimensional van der Waals nanodevices composed of carbon nanotubes (CNTs), hexagonal boron nitride (hBN) nanotubes, and molybdenum dichalcogenide (MoX₂) nanotubes were investigated within the framework of density functional theory (DFT). It was found that in nanodevices based on MoS₂(24,24) and MoTe₂(24,24), the effect of resonant tunneling is suppressed due to electron–phonon scattering. This suppression arises from the fact that these materials are semiconductors with an indirect band gap, where phonon participation is required to conserve momentum during transitions between the valence and conduction bands. In contrast, nanodevices incorporating MoSe₂(24,24), which possesses a direct band gap, exhibit resonant tunneling, as quasiparticles can tunnel between the valence and conduction bands without a change in momentum. It was demonstrated that the presence of vacancy defects in the CNT segment significantly degrades quasiparticle transport compared to Stone–Wales (SW) defects. Furthermore, it was revealed that resonant interactions between SW defects in MoTe₂(24,24)–hBN(27,27)–CNT(24,24) nanodevices can enhance the differential conductance under certain voltages. These findings may be beneficial for the design and development of nanoscale diodes, back nanodiodes, and tunneling nanodiodes. Full article

The development of effective oil adsorbents has attracted a great deal of attention due to the increasingly serious problem of oil pollution. A light and porous collagen (COL)/polyvinyl alcohol (PVA)/vanadium carbide (V₂CT_x) composite aerogel was synthesized using a simple method of blending, directional freezing, and drying. After modification with methyltriethoxysilane (MTMS) via chemical vapor deposition, the aerogel possessed an excellent hydrophobicity and its water contact angle reached 135°. The hydrophobic COL/PVA/V₂CT_x composite aerogel exhibits a porous structure with a specific surface area of 49 m²/g. It also possesses prominent mechanical properties with an 80.5 kPa compressive stress at 70% strain, a low density (about 28 mg/cm³), and outstanding thermal stability, demonstrating a 61.02% weight loss from 208 °C to 550 °C. Importantly, the hydrophobic COL/PVA/V₂CT_x aerogel exhibits a higher oil absorption capacity and stability, as well as a faster absorption rate, than the COL/PVA aerogel when tested with various oils. The hydrophobic COL/PVA/V₂CT_x aerogel has the capacity to adsorb 80 times its own weight of methylene chloride, with help from hydrophobic interactions, Van der Waals forces, intermolecular interactions, and capillary action. Compared with the pseudo first-order model, the pseudo second-order model is more suitable for oil adsorption kinetics. Therefore, the hydrophobic COL/PVA/V₂CT_x aerogel can be used as an environmentally friendly and efficient oil adsorbent. Full article

A modified activated carbon (AC) was developed by modifying with poly(diallyldimethylammonium) chloride (PDADMAC) to enhance its adsorption performance for water treatment applications. Different PDADMAC concentrations were explored and evaluated using methyl red as a model contaminant, with 8 w/v% PDADMAC yielding the best adsorption performance. The kinetics data were well described by the pseudo-first-order equation and homogeneous surface diffusion model. The Freundlich isotherm fit the equilibrium data well, indicating multilayer adsorption and diverse interaction types. The removal efficiency remained similar across a pH range of 5–9 and in the presence of background inorganic (NaCl)/organic compounds (sodium acetate) at different concentrations. Rapid small-scale column tests were performed to simulate continuous flow conditions, and the PDADMAC-modified AC effectively delayed the breakthrough of the contaminant compared to raw AC. Regeneration experiments showed that 0.1 M NaOH with 70% methanol effectively restored the adsorption capacity, retaining 80% of the initial efficiency after five cycles. Quantum chemical analysis revealed that non-covalent interactions, including electrostatic and Van der Waals forces, governed the adsorption mechanism. Overall, the results of this study prove that PDADMAC-AC shows great potential for enhanced organic contaminant removal in water treatment systems. Full article

Janus nanoparticles (JNPs) extend the concept of amphiphilicity beyond classical molecular surfactants into the nanoscale. Amphiphilic behavior is defined by the presence of hydrophobic and hydrophilic moieties within a single molecular structure. Traditionally, such molecular structures are known as surfactants or amphiphiles and are capable of reducing interfacial tension, adsorbing spontaneously at interfaces, stabilizing emulsions and foams, and forming micelles, bilayers, or vesicles. Recent experimental, theoretical, and computational studies demonstrate that these behaviors are scalable to nanostructured colloids such as JNPs. Amphiphilic JNPs, defined by anisotropic surface chemistry on distinct hemispheres, display interfacial activity driven by directional wetting, variable interfacial immersion depth, and strong interfacial anchoring. They can stabilize liquid/liquid and liquid/gas interfaces, and enable templated or spontaneous self-assembly into supra-structures, such as monolayer sheets, vesicles, capsules, etc., both in bulk and at interfaces. Their behavior mimics the “soft” molecular amphiphiles but also includes additional particularities given by their “hard” structure, as well as contributions from capillary, van der Waals, hydrophobic, and shape-dependent forces. This review focuses on compiling the evidence supporting amphiphilicity as a scalable property, discussing how JNPs function as colloidal amphiphiles and how geometry, polarity contrast, interfacial interactions, and environmental parameters influence their behavior. By comparing surfactant behavior and JNP assembly, this work aims to clarify the transferable principles, the knowledge gap, as well as the emergent properties associated with amphiphilic Janus colloids. Full article

This study examines the environmental challenges posed by azo-dye pollutants and aluminum industrial waste. Aluminum oxide nanoparticles (P/Al₂O₃-NPs) were produced using a green method that utilized pharmaceutical packaging waste as an aluminum source and marine algae extract (Padina pavonica) as reducing and stabilizing agents and that was characterized by XRD, EDX, SEM, TEM, and zeta potential. Batch biosorption studies were performed to assess the effectiveness of P/Al₂O₃-NPs in removing CR dye from aqueous solutions. The results demonstrate that the particle sizes range from 58.63 to 86.70 nm and morphologies vary from spherical to elliptical. FTIR analysis revealed Al–O lattice vibrations at 988 and 570 cm⁻¹. The nanoparticles displayed a negative surface charge (−13 mV) and a pH_zpc of 4.8. Adsorption experiments optimized parameters for CR dye removal, achieving 97.81% efficiency under native pH (6.95), with a dye concentration of 30 mg/L, an adsorbent dosage of 0.1 g/L, and a contact time of 30 min. Thermodynamic studies confirmed that the process is exothermic and spontaneous. Kinetic data fit well with the pseudo-second-order model, while equilibrium data aligned with the Langmuir isotherm. The adsorption mechanism involved van der Waals forces, hydrogen bonding, and π–π interactions, as supported by the influence of pH, isotherm data, and FTIR spectra. Overall, the study demonstrates the potential of eco-friendly P/Al₂O₃-NPs to efficiently remove CR dye from aqueous solutions. Full article