Bioactive Glycyrrhizic Acid Ionic Liquid Self-Assembled Nanomicelles for Enhanced Transdermal Delivery of Anti-Photoaging Signal Peptides.

Sigal peptides have garnered remarkable efficacy in rejuvenating photoaged skin and delaying senescence. Nevertheless, their low solubility and poor permeability bring about a formidable challenge in their transdermal delivery. To address this challenge, bioactive ionic liquids (ILs) synthesized from natural glycyrrhizic acid (GA) and oxymatrine (OMT) with eminent biocompatibility is first prepared.

Anchoring and Catalytic Performance of Co@CN Monolayer for Rechargeable Li-SeS Batteries: A First-Principles Calculations.

SeS composite cathode materials, which offer superior theoretical capacity compared to pure selenium and improved electrochemical properties relative to pure sulfur, have aroused considerable interest in recent decades on account of their applications in electric vehicles and energy storage grids. In the current work, the feasibility of a Co@CN monolayer as a promising host candidate for the cathode material of Li-SeS batteries has been evaluated using first-principles calculations, and particular efforts have been devoted to underscoring the anchoring mechanism and catalytic performance of the Co@CN monolayer. The pronounced synergistic effects of Co-S and Li-N bonds lead to increased anchoring performance for LiSeS/SeS clusters on the surface of Co@CN monolayer, which effectively inhibit the shuttle effect.

Exploring lithium ion interactions in graphite electrodes through non-equilibrium molecular dynamics and density functional theory.

In molecular dynamics (MD) simulations, selecting an appropriate potential function is a crucial element for accurately simulating the kinetic properties of lithium ion intercalation, storage, and diffusion in graphite systems. This work employed a combination of non-equilibrium molecular dynamics (NEMD) and density-functional theory (DFT) for simulation and analysis. The findings indicate that the AIREBO potential function precisely describes the motion of ordered lithium ions between graphite layers, consistent with the models proposed by Rüdorff and Hofmann (R-H) and Daumas and Hérold (D-H).

First-Principles Investigation of Phosphorus-Doped Graphitic Carbon Nitride as Anchoring Material for the Lithium-Sulfur Battery.

The utilization of lithium-sulfur battery is hindered by various challenges, including the "shuttle effect", limited sulfur utilization, and the sluggish conversion kinetics of lithium polysulfides (LiPSs). In the present work, a theoretical design for the viability of graphitic carbon nitride (g-CN) and phosphorus-doping graphitic carbon nitride substrates (P-g-CN) as promising host materials in a Li-S battery was conducted utilizing first-principles calculations. The PDOS shows that when the P atom is introduced, the 2p of the N atom is affected by the 2p orbital of the P atom, which increases the energy band of phosphorus-doping substrates.

Insight into the Desolvation of Quaternary Ammonium Cation with Acetonitrile as a Solvent in Hydroxyl-Flat Pores: A First-Principles Calculation.

Supercapacitors have a wide range of applications in high-technology fields. The desolvation of organic electrolyte cations affects the capacity size and conductivity of supercapacitors. However, few relevant studies have been published in this field.

Nacre-inspired biodegradable nanocellulose/MXene/AgNPs films with high strength and superior gas barrier properties.

Super strength and high barrier properties are the bottleneck of the application of cellulose film materials. Herein, it is reported a flexible gas barrier film with nacre-like layered structure, in which 1D TEMPO-oxidized nanocellulose (TNF) and 2D MXene self-assembled to form an interwoven stack structure with 0D AgNPs filling the void space. The strong interaction and dense structure endowed TNF/MX/AgNPs film with mechanical properties far superior to PE films and acid-base stability.

MXene-Enhanced Chitin Composite Sponges with Antibacterial and Hemostatic Activity for Wound Healing.

This study shows the effective use of MXene-based nanomaterials to improve the performance of biocomposite sponges in wound healing. In this way, diverse chitin/MXene composite sponges are fabricated by incorporating MXene-based nanomaterials with various morphology (accordion-shaped, intercalated, single-layer, gold nanoparticles (AuNPs)-loaded single-layer) into the network of chitin sponge (CH), which can prevent massive blood losses and promote the healing process of bacterial-infected wounds. With the addition of MXene-based nanomaterials, the hemostatic efficacy of CH is enhanced due to the improved hemophilicity and accelerated blood coagulation kinetics.

Low-cost pentagonal NiX (X = S, Se, and Te) monolayers with strong anisotropy as potential thermoelectric materials.

Pentagonal compounds, as a new family of 2D materials, have recently been extensively studied in the fields of electrocatalysis, photovoltaics, and thermoelectrics. Encouraged by the successful synthesis of pentagonal PdSe, the thermoelectric properties of low-cost pentagonal NiX (X = S, Se, and Te) monolayers are theoretically predicted with the help of first-principles calculations and the semiclassical Boltzmann transport theory. The high dynamic and thermal stabilities of pentagonal NiX (X = S, Se, and Te) monolayers are confirmed according to the phonon dispersion spectrums and molecular dynamics (AIMD) simulations.

Recent Progress in TiCT MXene-Based Flexible Pressure Sensors.

The rapid development of consumer electronics, artificial intelligence, and clinical medicine generates an increasing demand for flexible pressure sensors, whose performance depends significantly on sensitive materials with high flexibility and proper conductivity. MXene, a type of 2D nanomaterial, has attracted extensive attention due to its good electrical conductivity, hydrophilicity, and flexibility. The synthesis methods for MXenes make it relatively easy to control their microstructure and surface termination groups.

Understanding the anchoring and catalytic effect of the Co@CN monolayer in lithium-selenium batteries: a first-principles study.

The practical applications of lithium-selenium (Li-Se) batteries are impeded due to the low utilization of active selenium, sluggish kinetics, and volume change. The development of highly efficient host materials to suppress high-order polyselenide shuttling and accelerate LiSe conversion is essential for Li-Se batteries. Herein, a theoretical design of a Co@CN monolayer as a host material for ultra-high areal capacity Li-Se batteries is proposed by first-principles calculations.

3D printed nanocellulose-based label for fruit freshness keeping and visual monitoring.

Food packaging systems with a single function of freshness keeping or monitoring may not be able to meet all practical needs. Herein, cellulose nanofibers (CNF)-based labels with dual functions of fruit freshness keeping and visual monitoring were prepared by coaxial 3D printing. CNF-based ink with blueberry anthocyanin was used to create the shell of fibers, exhibiting high formability and print fidelity as well as sensitive visual pH-responsiveness for freshness monitoring.

Insights into the effect of hydroxyl-, epoxy-, and carboxyl-pores on the desolvation of Kwith water as a solvent: a first-principles study.

The oxygen-containing functional group is particularly effective at the capacity and cycle performance of porous carbon, but there are few reports on the influence of ionic desolvation. The desolvated behavior in porous carbon could be availably simulated through the bilayer graphene with the interlayer spacings of 4-10 Å as the flat pore model by a first-principles calculation. The desolvated behavior of hydrated potassium ion ([K(HO)]) is calculated in AA- and AB-stacking hydroxyl-, epoxy-, carboxyl-flat pores.

3D-Printed Nanocellulose-Based Cushioning-Antibacterial Dual-Function Food Packaging Aerogel.

Cushioning and antibacterial packaging are the requirements of the storage and transportation of fruits and vegetables, which are essential for reducing the irreversible quality loss during the process. Herein, the composite of carboxymethyl nanocellulose, glycerin, and acrylamide derivatives acted as the shell and chitosan/AgNPs were immobilized in the core by using coaxial 3D-printing technology. Thus, the 3D-printed cushioning-antibacterial dual-function packaging aerogel with a shell-core structure (CNGA/C-AgNPs) was obtained.

Understanding the electrochemical properties of bulk phase and surface structures of NaTPOCO (T = Fe, Mn, Co, Ni) from first principles calculations.

First principles calculations were performed to investigate the electrochemical performance (voltage, cycling stability, electrical conductivity, mechanical properties and safety) of the bulk phase and surface structures of NaTPOCO (T = Fe, Mn, Co, Ni). NaFePOCO and NaMnPOCO are estimated to be promising candidates for the cathode materials of sodium ion batteries because of the moderate voltages, good stability and high safety during the cycling process of two sodium ions per formula unit. For the purpose of improving the rate performances, NaMnPOCO was chosen as an example to explore its surface performance.

Honeycomb-like structure-tunable chitosan-based porous carbon microspheres for methylene blue efficient removal.

Chitosan (CS) can be used for the preparation of carbon materials with different morphologies due to its excellent properties, but there are no reports on its spherical morphology. In this study, a feasible step-by-step strategy was proposed to fabricate nitrogen-containing chitosan-based porous carbon microspheres (CPCM) in HCl and KOH. The unique spherical morphology and honeycomb-like porous structure of CPCM were accurately regulated.