Emulsion Templating Research Articles

Hydrophilic porous boronate imprinted hydrogels for ultrafast transport and highly specific separation of flavoniods: A interfacial cooperative emulsion imprinted strategy based on microreactors

Hydrogel-based imprinted materials with specific-recognition and ultrafast transport have been considered as one of the most promising sorbents in the selective separation fields. Nonetheless, the traditional hydrogel imprinted sorbents still facing the low-level interfacial consistency between substrate polymer and imprinted sites, unordered arrangement and easy agglomeration of recognizing sites on hydrogel matrix, causing poor selectivity of specific molecular transport. For the first time, the one-step RAFT Pickering HIPEs emulsion imprinted methods were designed to fabricate porous hydrophilic boronate affinity imprinted hydrogels (POH-BA-MIPs) for the specific separation and purification of Naringin (NRG). As expected, the novel RAFT solid emulsifier can not only enhance the emulsion stability and mechanical performance of the hydrogel, but also introduce the self-initiating function. Benefiting from the hydrogel’s porous structure and the highly accessible and uniform imprinted sites via Pickering emulsion template, the POH-BA-MIPs exhibited strong binding affinity and selectivity to the targeted molecules. The maximum equilibrium adsorption capacity of POH-BA-MIPs were 53.27 µmol g−1 at 308 K within 360 min. The kinetic nonlinear pseudo-second-order model (R2 = 0.997) can well explain the adsorption kinetic than pseudo-first-order model (R2 = 0.986), indicating that chemisorption is mainly the rate-limiting step. Besides, the adsorption amounts of POH-BA-MIPs were 3.74 times higher than that of non-imprinted adsorbents (POH-BA-NIPs). After six consecutive adsorption–desorption cycles, the obtained POH-BA-MIPs demonstrated considerable reusability, retaining 91.28 % of the initial adsorption capacity. Meanwhile, the coarse NRG products can be effectively purified to 93.16 %. The obtained purified NRG had better antibacterial performance against Staphylococcus aureus. This work provides a novel strategy for constructing porous boronate affinity imprinted hydrogels for specific capture of targeted flavonoid molecules, which exhibited broad practical application potential.

Preparation of emulsion hydrogels encapsulating extractant by the Pickering emulsion template method to recover lanthanum ions in aqueous solutions

Abstract To solve the problem of liquid–liquid extraction of La(III), the oil-in-water Pickering emulsions were prepared by utilizing the aqueous solution of sodium alginate as the continuous phase, kerosene-diluted extractant di-(2-ethylhexyl) phosphate (P204) as the dispersed phase, and modified silica as an emulsifier. Then the emulsions were added to a calcium chloride solution to prepare the Pickering emulsion hydrogels (PEHGs) to better remove La(III). The PEHGs were characterized using Fourier transform infrared, thermogravimetric analysis, and scanning electron microscopy. The adsorption properties of PEHGs for La(III) in the aqueous solution were investigated using a UV–vis spectrophotometer. The study found that P204 was successfully coated by hydrogels and reached the highest adsorption capacity of 48 mg/g at pH 4. The amount of adsorption increased with the rise in temperature from 298 to 318 K. La(III) adsorption experimental data were more consistent with the pseudo-second-order kinetic model and the Langmuir isotherm model. Thermodynamic parameters showed that the adsorption of La(III) by PEHGs was a spontaneous endothermic process. The internal diffusion model revealed a linear relationship, indicating that internal diffusion played a role in the adsorption process. The encapsulating property of PEHGs indicated its potential usefulness in industrial wastewater for treating La(III).

Amphiphilicity evolution in self-assembled carbon-based nanostructures for stabilizing different types of Pickering emulsions

ABSTRACT Carbon-based nanostructures have been firmly established as highly scalable and versatile platforms, which have found extensive applications in several fields of multifunctional nanocomposites, energy storage, environment protection, and electronics device. Pickering emulsion template method is one of the efficient strategies for assembling metastable carbon nanomaterials into stable macroarchitectures. Here, the combination of graphene oxide (GO) and carbon nanotubes (CNTs) was chemically and continuously treated with 2-ethyl-4-methylimidazole (EMI) to acquire tunable wettability. The hybridization of CNTs and reduction of GO can make the as-synthesized carbon nanohybrids be capable of stabilizing oil-in-water (O/W) and water-in-oil (W/O) Pickering emulsions, respectively. The major shift in the type of Pickering emulsion is conveniently implemented through the catalytic reduction of GO by EMI. The sp2-hybridized carbon networks self-assembled with CNTs and reduced graphene oxide (RGO) are intentionally located at the biphasic liquid interface of different types of Pickering emulsions, which can endow the architecture elaborated from Pickering emulsion strategy with multiple functionalities.

Transparent Oil-Water Separating Hydrophobic Sponge Prepared from a Pickering High Internal Phase Emulsion Stabilized by Octadecyltrichlorosilane Grafting Carbon Nanotubes.

Increasingly, oil spills and industrial discharges are wreaking havoc on the water environment; in order to efficiently separate oil and water from sewage containing oil or organic solvents, a novel porous polymer (P(EHA-co-BA)) was prepared by Pickering high internal phase emulsion (HIPE) template method. To obtain polyHIPE with better oil/water separation capacities, octadecyltrichlorosilane (OTS)-modified carbon nanotubes (CNTs) and surfactants were used as costabilizers for HIPE, which improved the stability of HIPE as well as the mechanical properties and the separation efficiency of polyHIPE. In the presence of 1 wt % OTS-CNT adding in the oil phase, 1%OTS-CNT polyHIPE has high porosity (92.21%), favorable hydrophobicity (a water contact angle of 128°), and excellent mechanical properties. As a result, 1%OTS-CNT polyHIPE has high absorption of oils and oily solvents, e.g., dichloromethane up to 36 g/g, and maintains an absorption efficiency of >97% after 20 reapplications. In the formulation of polyHIPE, cinnamaldehyde (CA) has been added to provide superior antibacterial properties against Escherichia coli (E. coli) and Staphylococcus aureus (S. aureus). It appears that the novel polyHIPE proposed in this work is a reusable antibacterial porous polymer with promising applications for oil-water separation.

Emulsion template fabricated gelatin-based scaffold functionalized by dialdehyde starch complex with antibacterial antioxidant properties for accelerated wound healing

Gelatin and starch are considered as promising sustainable materials for their abundant production and good biodegradability. Efforts have been made to explore their medical application. Herein, scaffolds based on gelatin and starch with a preferred microstructure and antibacterial antioxidant property were fabricated by the emulsion template method. The dialdehyde starch was firstly combined with silver nanoparticles and curcumin to carry out the efficient hybrid antibacterial agent. Then, the gelatin microsphere of appropriate size was prepared by emulsification and gathered by the above agent to obtain gelatin-based scaffolds. The prepared scaffolds showed porous microstructures with high porosity of over 74 % and the preferred pore sizes of ∼65 μm, which is conducive to skin regeneration. Moreover, the scaffolds possessed a good swelling ability of over 640 %, good degradability of over 18 days, excellent blood compatibility, and cell compatibility. The promising antibacterial and antioxidant properties came from the hybrid antibacterial agent were affirmed. As expected, the gelatin-based scaffolds fabricated by the emulsion template method with a preferred microstructure can facilitate more adhered fibroblasts. In summary, gelatin-based scaffolds functionalized by starch-based complex expanded the application of abundant sustainable materials in the biomedical field, especially as antibacterial antioxidant wound dressings.

Fabrication and In Vivo Assessment of Oxidatively Responsive PolyHIPE Scaffolds for Use in Diabetic Orthopedic Applications.

Achieving surgical success in orthopedic patients with metabolic disease remains a substantial challenge. Diabetic patients exhibit a unique tissue microenvironment consisting of high levels of reactive oxygen species (ROS), which promotes osteoclastic activity and leads to decreased bone healing. Alternative solutions, such as synthetic grafts, incorporating progenitor cells or growth factors, can be costly and have processing constraints. Previously, the potential for thiol-methacrylate networks to sequester ROS while possessing tunable mechanical properties and degradation rates has been demonstrated. In this study, the ability to fabricate thiol-methacrylate interconnected porous scaffolds using emulsion templating to create monoliths with an average porosity of 97.0% is reported. The average pore sizes of the scaffolds range from 27 to 656µm. The scaffolds can sequester pathologic levels of ROS via hydrogen peroxide consumption and are not impacted by sterilization. Subcutaneous implantation shows no signs of acute toxicity. Finally, in a 6-week bilateral calvarial defect model in Zucker diabetic fatty rats, ROS scaffolds increase new bone volume by 66% over sham defects. Histologic analysis identifies woven bone infiltration throughout the scaffold and neovascularization. Overall, this study suggests that porous thiol-methacrylate scaffolds may improve healing for bone grafting applications where high levels of ROS hinder bone growth.

Tiger Nut Oil-Based Oil Gel: Preparation, Characterization, and Storage Stability.

In this study, Tiger nut (Cyperus esculentus L.) oil-based oleogels were prepared using the emulsion template method with whey protein (WPI; 0.5-2.5% (w/v) and Xanthan gum (XG; 0.1-0.5% (w/v). The microstructure of the oleogels obtained from the high internal phase emulsion (HIPE) and an emulsion after further shearing were observed using an optical microscope and laser confocal microscopy. A series of rheological tests were conducted to evaluate the effect of WPI and XG concentrations on the strength of the emulsion and oleogel. The texture, oil holding capacity, and oxidative stability of oleogels were characterized. The results showed that XG alone could not form oleogel, while the concentration of WPI had more effect than XG. When WPI was at a fixed concentration, the viscoelasticity of HIPE increased with the addition of XG. This was due to the complexation of WPI and XG, forming a stable gel network between the tight emulsion droplets and thus giving it a higher viscoelasticity. With an increase in WPI concentration, the stability and viscoelasticity of the emulsion were increased, and the oil-holding capacity and gel strength of the oleogels were enhanced. Moreover, the addition of XG could significantly enhance the stability and viscoelasticity of the emulsion (p < 0.05), and an increase in the concentration had a positive effect on it. The oleogels showed high gel strength (G' > 15,000 Pa) and good thixotropic recovery when the XG concentration was higher than 0.3% (w/v). WPI (2.0%) and XG (>0.3%) could be used to obtain HIPE with good physicochemical and viscoelastic properties, which in turn lead to oleogels with minimal oil loss, viscoelastic and thixotropic recovery, and temperature stability. Compared with tiger nut oil-based oleogel, tiger nut oil contained more polyunsaturated fatty acids, which were more easily decomposed through oxidation during storage and had lower oxidation stability. This study provides a reference for the preparation of oleogels from food-approved polymers and provides additional theoretical support for their potential application as solid fat substitutes.

Polyurethane Acrylate Oligomer (PUA) Microspheres Prepared Using the Pickering Method for Reinforcing the Mechanical and Thermal Properties of 3D Printing Resin

Some photosensitive resins have poor mechanical properties after 3D printing. To overcome these limitations, a polyurethane acrylate oligomer (PUA) microsphere was prepared using the Pickering emulsion template method and ultraviolet (UV) curing technology in this paper. The prepared PUA microspheres were added to PUA-1,6-hexanediol diacrylate (HDDA) photosensitive resin system for digital light processing (DLP) 3D printing technology. The preparation process of PUA microspheres was discussed based on micromorphology, and it was found that the oil-water ratio of the Pickering emulsion and the emulsification speed had a certain effect on the microsphere size. As the oil-water ratio and the emulsification speed increased, the microsphere particle size decreased to a certain extent. Adding a suitable proportion of PUA microspheres to the photosensitive resin can improve the mechanical properties and thermal stability. When the modified photosensitive resin microsphere content was 0.5%, the tensile strength, elongation at break, bending strength, and initial thermal decomposition temperature were increased by 79.14%, 47.26%, 26.69%, and 10.65%, respectively, compared with the unmodified photosensitive resin. This study provides a new way to improve the mechanical properties of photosensitive resin 3D printing. The resin materials studied in this work have potential application value in the fields of ceramic 3D printing and dental temporary replacement materials.

Bioactive Porous Protein Scaffolds Enabled by High Internal Phase Emulsion Templates

Bioactive Porous Protein Scaffolds Enabled by High Internal Phase Emulsion Templates

A rapid fabrication of flexible fluoropolymer with porous structure based on a high internal phase emulsion template

AbstractAlthough fluorinated porous materials are considered promising candidates due to their high porosity, low density and acid and alkali resistance, they still face several challenges, such as complex preparation methods, heat‐induced polymerization of fluorinated emulsion taking too long and material brittleness. In this study, we avoided the difficult problem of stability of fluorine‐containing emulsions. We prepared functional hydrophobic hyperelastomers with morphological control, excellent oil absorption and recyclability by thiol–ene click photopolymerization using a water‐in‐oil high internal phase emulsion as template. The oil absorption capacity of the B4‐30%Si sample did not change after 10 recycles. By combining the advantages of organic fluorine and inorganic silicon, the prepared foam retains hydrophobicity and excellent chemical resistance, and has excellent structural and mechanical properties and can be compressed up to a 90% strain without rupture. Finally, the composite porous material B4‐30%Si has greater thermal stability (up to 280 °C) than commercially available polypropylene separators, due to the introduction of fluorine and silicon, and better flexibility and mechanical strength than glass fiber separators. Therefore, these materials are promising for use in lithium–sulfur batteries and wearable electronic components after further modification. © 2023 Society of Chemical Industry.

Fast Gas-Adsorption Kinetics in Supraparticle-Based MOF Packings with Hierarchical Porosity.

Metal-organic frameworks (MOFs) are microporous adsorbents for high-throughput gas separation. Such materials exhibit distinct adsorption characteristics owing to the flexibility of the crystal framework in a nanoparticle, which can be different from its bulk crystal. However, for practical applications, such particles need to be compacted into macroscopic pellets, creating mass-transport limitations. In this work, this problem is addressed by forming materials with structural hierarchy, using a supraparticle-based approach. Spherical supraparticles composed of nanosized MOF particles are fabricated by emulsion templating and they are used as the structural component forming a macroscopic material. Zeolitic imidazolate framework-8 (ZIF-8) particles are used as a model system and the gas-adsorption kinetics of the hierarchical material are compared with conventional pellets without structural hierarchy. It is demonstrated that a pellet packed with supraparticles exhibits a 30 times faster adsorption rate compared to an unstructured ZIF-8 powder pellet. These results underline the importance of controlling structural hierarchy to maximize the performance of existing materials. In the hierarchical MOFs, large macropores between the supraparticles, smaller macropores between individual ZIF-8 primary particles, and micropores inherent to the ZIF-8 framework collude to combine large surface area, defined adsorption sites, and efficient mass transport to enhance performance.

Cellulose Nanofibril Stabilized Pickering Emulsion Templated Aerogel with High Oil Absorption Capacity.

Nanocellulose-based aerogels, featuring a three-dimensional porous structure, are considered as a desirable green absorbent because of their exceptional absorption performance as well as the abundance and renewability of the raw material. However, these aerogels often require hydrophobic modification or carbonization, which is often environmentally harmful and energy-intensive. In this study, we introduce a Pickering-emulsion-templating approach to fabricate a cellulose nanofibril (CNF) aerogel with a hierarchical pore structure, allowing for high oil absorption capacity. n-Hexane-CNF oil-in-water Pickering emulsions are prepared as an emulsion template, which is further lyophilized to create a hollow microcapsule-based CNF (HM-CNF) aerogel with a density ranging from 1.3 to 6.1 mg/cm3 and a porosity of ≥99.6%. Scanning electron microscopy and Brunauer-Emmett-Teller analyses reveal the HM-CNF aerogel's hierarchical pore structure, originating from the CNF Pickering emulsion template, and also confirm the aerogel's very high surface area of 216.6 m2/g with an average pore diameter of 8.6 nm. Furthermore, the aerogel exhibits a maximum absorption capacity of 354 g/g and 166 g/g for chloroform and n-hexadecane, respectively, without requiring any surface modification or chemical treatment. These combined findings highlight the potential of the Pickering-emulsion-templated CNF aerogel as an environmentally sustainable and high-performance oil absorbent.

Fabrication of amphoteric gelatin nanospheres-doped self-healing nanocomposite hydrogels and the application in flexible sensors

The nanomaterials with two distinct properties or components have outstanding advantages in the synthesis of smart hydrogels. In this work, gelatin nanospheres (GNPs) asymmetrically coated with poly(diallyldimethylammonium chloride) (PDDA) and tannic acid (TA) were synthesized by Pickering emulsion template method. The nanocomposite hydrogel with amphoteric gelatin nanospheres (GPTNPs)-doped was successfully prepared, which has excellent mechanical properties (strain = 616%, stress = 2.85 MPa) and self-healing properties (efficiency = 90.9%) under the synergistic effects of hydrogen bonding and metal coordination. The developed GPTNPs/polyacrylic acid (GPTNPs/PAA) hydrogel sensor exhibits high sensitivity (gauge factor (GF) = 3.69), quick response time (96.4 ms) and superior stability. Therefore, the GPTNPs/PAA hydrogels are excellent materials for application in wearable flexible sensors to monitor real-time human motion.

Magnetic open porous microspheres via high internal phase emulsion templating as efficient Pb adsorption material

Emulsion templating enables the synthesis of hierarchically porous polymers. By adding another phase to this process and therefore, creating a multiple emulsion templating method, it is possible to synthesise hierarchically porous microspheres. In this study water-in-oil-in-water double emulsion templating was used to prepare porous microspheres by utilising thiol-ene click chemistry. For this trimethylolpropane tris(3-mercaptopropionate) and trimethylolpropane triacrylate were used. To the monomer phase magnetic nanoparticles were added to synthesise polyHIPE microspheres with magnetic properties. The higher magnetic nanoparticles (MNPs) content also affected the morphology and microsphere size. With increasing MNPs content the bead diameter decreased, while the diameter of the primary pores of the cross-section increased. However, while the MNPs influenced the morphology, the chemical composition was not influenced. The microspheres were used for the removal of Pb2+. From a 2.9 mg/L solution up to 97.0% of Pb was removed after 24 h.

Development by emulsion templating of a novel Tunisian clay-polyvinyl alcohol/extra-virgin olive oil scaffold with antibiofilm properties

A biobased porous scaffold with antibacterial and antioxidant properties was developed using the emulsion templating method. This technique represents a new route for the development of porous materials with controllable pore size. To take into account the environmental and economic aspects, polyvinyl alcohol (PVA) was chosen as the polymer matrix, raw Tunisian clay as the Pickering emulsion stabilizer, and extra virgin olive oil (EVOO) as the oil phase. PVA is often chosen for producing wound dressings that create a moist environment and consequently promote healing. Clay was used as a barrier against bacteria and as emulsifier due to its nanoscale and layered structure. In EVOO, the polyphenolic compounds have antioxidant activity and fatty acids have a plasticizer role. X-ray fluorescence, X-ray diffraction and Fourier transform infrared spectroscopy were used to analyze the raw clay. Then, the obtained films were structurally and chemically characterized, and their performance, antimicrobial activity against Pseudomonas aeruginosa, and antioxidant activity were evaluated. The emulsion characterization showed that clay addition influenced the emulsion type and increased the emulsion stability index to 98%, even after 3 months of storage. This was explained by the irreversible adsorption of clay platelets on the droplet surface that formed a rigid shell to prevent coalescence. The film characterization demonstrated that the oil: water ratio did not influence the surface porosity, although it affected the pore size uniformity and interconnection. Conversely, shortening the curing time improved the surface porosity. The resulting PVA-clay/EVOO scaffold displayed an exceptional performance, including high mechanical strength (∼2.1 MPa), interconnected porous structure with a size ranging from few µm to > 30 µm, and hydrophobic properties (∼90° ± 2). In addition, it showed antiadhesive and antibiofilm activities against P. aeruginosa. Therefore, this scaffold could be used for the early prevention of biofilm formation during wound healing and is a promising candidate for the controlled release of drugs and potentially for various applications in soft tissues.

Smart antibacterial nanocellulose packaging film based on pH-stimulate responsive microcapsules synthesized by Pickering emulsion template

Spoilage results in food waste and endangers consumer health, and the smart antibacterial packaging can effectively inhibit bacterial growth and reduce food spoilage. In this study, the smart antibacterial nanocellulose packaging films were developed by adding the pH-stimulated responsive microcapsules into cellulose nanofibril (CNF) film-forming. The microcapsules were synthesized by interfacial polymerization of Pickering emulsion. Carboxylated cellulose nanocrystals as solid particles stabilized the composited oil phase to prepare the oil-in-water Pickering emulsion. The emulsion with the particle concentration of 1.25 wt% and the oil phase mass fraction of 7.5 % processes excellent stability and uniform particle size, was chosen to synthesize microcapsules. The cinnamaldehyde in the film with the addition amount of microcapsules 0.6 g burst released in the first 1 h and then slowly, and the cumulative release at pH 2.0, 4.0, 5.5 and 7.2 was 28.43 μg/cm2, 18.84 μg/cm2, 16.52 μg/cm2 and 12.89 μg/cm2, respectively. The inhibitory rate of film against both E. coli and L. monocytogenes reached 99 % at pH 4.0. The shelf life of pork packed by the film prolonged to nearly 9 d at room temperature. The developed films have the potential to be used in food packaging.

Investigation of the mechanism of establishing a solid–water–oil system by metastable droplets and their application in the fabrication of polyol nanosheets for rapid boron removal

The emulsion method is a typical way for the preparation of nanomaterials, however, it usually requires a lot of energy and surfactants to form and stabilize of emulsions. A critical factor limiting its application is to control the morphology of the material by modulating the size of the emulsion droplets. In this work, a novel solid-water–oil (S-W-O) system based on the integration of metastable emulsion and salt template method was proposed, and the functionalized silica nanosheets were prepared by the one-pot method. The size of the prepared nanosheets is relatively uniform, with a length of 800 to 1200 nm and a width of about 200 nm. Subsequently, a large number of epoxy group sites were introduced into the nanosheets relying on distillation precipitation polymerization, and the polyol groups were successfully loaded. Finally, the polyol-functionalized nanosheet adsorbent (NS@GMA-NMDG) was obtained and applied for the rapid removal of boron. NS@GMA-NMDG shows favorable adsorption performance for boric acid in solution, with a maximum adsorption capacity of about 35.49 mg g−1 based on the Langmuir model fitting and a fast adsorption rate of about 30 min to reach 96.3% of the adsorption equilibrium concentration. Remarkably, the investigation of the formation mechanism of nanosheets reveals that salt plays an important role in the S-W-O system. This study not only puts forward a novel method of designing and synthesizing nanosheet adsorbents, but also the application of surfactant-free and low-energy emulsification reflects the concepts of energy saving and clean production, which provides fresh inspirations for the development of new environmentally friendly adsorbents.

Porous polymer nanocomposites containing single-walled carbon nanotubes for chromium (VI) removal from water

By using a high internal phase emulsion (HIPE) templating approach, we synthesize functional porous nanocomposites containing single-walled carbon nanotubes (SWCNTs). HIPEs are prepared from an oil phase consisting of 2-ethylhexyl acrylate (2-EHA) and ethylene glycol dimethacrylate (EGDMA) monomers, while the modified SWCNTs are dispersed in the aqueous phase using sodium dodecyl sulfate (SDS) surfactant. The resulting monolithic nanocomposites, denoted as PHIPE/SWCNT, with high porosity and effective functional groups are used for selective Cr(VI) removal from contaminated water. The effects of adsorption parameters such as the initial pH of the solution, adsorbent amount, contact time, and initial Cr(VI) concentration on the removal efficiency are investigated and optimized. The experimental results reveal that Cr(VI) adsorption kinetics and equilibrium in PHIPE/SWCNT are well described by the pseudo-second-order and the Langmuir models, respectively. The maximum adsorption capacity of PHIPE/SWCNT for Cr(VI) is found to be 72.35 mg g−1. The presence of competitive sulfate ions in the aqueous media can have a negative effect on the removal efficiency of the adsorbent. The regeneration studies show that the monolith can be reused several times by simply recovering under basic conditions.

Stapled anoplin peptide combined with photothermal therapy enhances oncolytic immunotherapy of triple-negative breast cancer

This study constructed a nano-drug delivery system, A3@GMH, by co-delivering the stapled anoplin peptide(Ano-3, A3) with the light-harvesting material graphene oxide(GO), and evaluated its oncolytic immunotherapy effect on triple-negative breast cancer(TNBC). A3@GMH was prepared using an emulsion template method and its physicochemical properties were characterized. The in vivo and in vitro photothermal conversion abilities of A3@GMH were investigated using an infrared thermal imager. The oncoly-tic activity of A3@GMH against TNBC 4T1 cells was evaluated through cell counting kit-8(CCK-8), lactate dehydrogenase(LDH) release, live/dead cell staining, and super-resolution microscopy. The targeting properties of A3@GMH on 4T1 cells were assessed using a high-content imaging system and flow cytometry. In vitro and in vivo studies were conducted to investigate the antitumor mechanism of A3@GMH in combination with photothermal therapy(PTT) through inducing immunogenic cell death(ICD) in 4T1 cells. The results showed that the prepared A3@GMH exhibited distinct mesoporous and coated structures with an average particle size of(308.9±7.5) nm and a surface potential of(-6.79±0.58) mV. The encapsulation efficiency and drug loading of A3 were 23.9%±0.6% and 20.5%±0.5%, respectively. A3@GMH demonstrated excellent photothermal conversion ability and biological safety. A3@GMH actively mediated oncolytic features such as 4T1 cell lysis and LDH release, as well as ICD effects, and showed enhanced in vitro antitumor activity when combined with PTT. In vivo, A3@GMH efficiently induced ICD effects with two rounds of PTT, activated the host&apos;s antitumor immune response, and effectively suppressed tumor growth in 4T1 tumor-bearing mice, achieving an 88.9% tumor inhibition rate with no apparent toxic side effects. This study suggests that the combination of stapled anoplin peptide and PTT significantly enhances the oncolytic immunotherapy for TNBC and provides a basis for the innovative application of anti-tumor peptides derived from TCM in TNBC treatment.

Implementation of a ternary lattice Boltzmann model in LAMMPS

The properties of multicomponent fluids are governed by the interplay of phase behavior, fluid dynamics, and interfacial thermodynamics. A mixture formulation that leverages this interplay is an important aspect in many fabrication processes based on emulsion templating. The lattice Boltzmann method (LBM) has become a popular approach for simulating hydrodynamic effects in complex fluids and soft matter. Here we present an implementation of a ternary lattice Boltzmann model that allows to simulate a mixture of three immiscible fluids. We build on the LATBOLTZ extension of the open-source package LAMMPS and implement a ternary free energy model recently introduced by Semprebon et al. [Phys. Rev. E 93, 033305 (2016)]. We validate the static and dynamic properties by simulating liquid lenses, double emulsions, and ternary mixtures. From the simulations, we obtain the complete morphology diagram of the ternary mixture in composition space. We further discuss an application of the method to phase segregation of ternary films. The implementation of the ternary LBM in LAMMPS opens vast opportunities for mesoscale simulations of interfacial phenomena and non-equilibrium transport processes in multicomponent fluid mixtures. Program summaryProgram Title: fix lb/multicomponentCPC Library link to program files:https://doi.org/10.17632/gn8znmyxrh.1Developer's repository link:https://github.com/uschille/lammps/tree/ternary-lbmLicensing provisions: GPLv2Programming language: C++Journal reference of previous version: C. Denniston, N. Afrasiabian, M.G. Cole-André, F.E. Mackay, S.T.T Ollila, T. Whitehead. LAMMPS lb/fluid fix version 2: Improved hydrodynamics forces implemented into LAMMPS through a lattice-Boltzmann fluid. Comput. Phys. Commun.275, 108318 (2022).Does the new version supersede the previous version?: NoReasons for the new version: The lb/multicomponent fix provides new capabilities for simulating ternary fluid mixtures.Summary of revisions: An implementation of the ternary free-energy lattice Boltzmann model [1] has been added to the LATBOLTZ extension of LAMMPS. The new functionality is available through the script command fix lb/multicomponent.Nature of problem: Multicomponent fluids involve non-local interactions that give rise to fluid-fluid surface tension and a non-ideal pressure tensor. This requires a modification of the standard lattice Boltzmann method.Solution method: The implementation extends the existing lattice Boltzmann code in LAMMPS [2] and introduces data structures and methods for the ternary algorithm introduced in [1]. The code carries out the streaming and collision steps for three fluid components using the appropriate equilibrium distributions. The equilibrium distribution is calculated based on thermodynamic quantities derived from the free energy.Additional comments including restrictions and unusual features: The current version of the lb/multicomponent fix is restricted to the D3Q19 lattice.