Machine Learning-Guided Prediction of Desalination Capacity and Rate of Porous Carbons for Capacitive Deionization.

Nowadays, capacitive deionization (CDI) has emerged as a prominent technology in the desalination field, typically utilizing porous carbons as electrodes. However, the precise significance of electrode properties and operational conditions in shaping desalination performance remains blurry, necessitating numerous time-consuming and resource-intensive CDI experiments. Machine learning (ML) presents an emerging solution, offering the prospect of predicting CDI performance with minimal investment in electrode material synthesis and testing. Herein, four ML models are used for predicting the CDI performance of porous carbons. Among them, the gradient boosting model delivers the best performance on test set with low root mean square error values of 2.13 mg g-1 and 0.073 mg g-1 min-1 for predicting desalination capacity and rate, respectively. Furthermore, SHapley Additive exPlanations is introduced to analyze the significance of electrode properties and operational conditions. It highlights that electrolyte concentration and specific surface area exert a substantially more influential role in determining desalination performance compared to other features. Ultimately, experimental validation employing metal-organic frameworks-derived porous carbons and biomass-derived porous carbons as CDI electrodes is conducted to affirm the prediction accuracy of ML models. This study pioneers ML techniques for predicting CDI performance, offering a compelling strategy for advancing CDI technology.

Cd8(BO3)4SiO4: Metal Cation Inducing the Formation of Isolated [BO3] and [SiO4] Units in Borate Silicate.

The first compound of cadmium-borate silicate Cd8(BO3)4SiO4, crystallizing in space group P42/n (no. 86), has been successfully synthesized by the conventional high-temperature solution method and melts congruently. The zero-dimensional anionic groups of Cd8(BO3)4SiO4 are isolated [BO3] triangles and isolated [SiO4] tetrahedra which are filled in the framework formed by [CdO6] polyhedra. It has a moderate birefringence (Δn = 0.053 at 546 nm), which is measured by experiment and evaluated by first-principles calculations; meanwhile, the source of birefringence is revealed through the response electronic distribution anisotropy method. The UV-vis-NIR diffuse reflectance spectrum indicates that Cd8(BO3)4SiO4 possesses a wide optical transparency range, with a UV cutoff edge at about 254 nm. This work enriches the structure chemistry of borate silicates, and we discussed the possible methods for the exploration and synthesis of novel optical crystals possessing zero-dimensional anionic groups in the borate silicate system.

ACAP4 interacts with CrkII to promote the recycling of integrin ß1.

ACAP4, a GTPase-activating protein (GAP) for the ADP-ribosylation factor 6 (ARF6), plays import roles in cell migration, cell polarity, vesicle trafficking and tumorigenesis. Similarly, the ubiquitously expressed adaptor protein CrkII functions in a wide range of cellular activities, including cell proliferation, T cell adhesion and activation, tumorigenesis, and bacterial pathogenesis. Here, we demonstrate that ACAP4 physically interacts with CrkII. Biochemical experiments revealed that ACAP4550-660 and the SH3N domain of CrkII are responsible for the interaction. Functional characterization showed that the interaction is required for the recruitment of ACAP4 to the plasma membrane where ACAP4 functions to regulate the recycling of the signal transducer integrin ß1. Thus, we suggest that the CrkII-ACAP4 complex may be involved in regulation of cell adhesion.

High-performance CO detection based on a PhC cavity in terahertz band.

Combined with the light absorption from molecular vibration, photonic crystal (PhC) cavity structures have gradually shown great potential in gas detection, particularly for toxic gases. We proposed a PhC cavity with a high-quality factor of 1.24 × 106 and a small mode volume of 2.3 × 10-4 (λ/n)3, which was used for carbon monoxide detection. To reduce the interference of other gases, we set the resonance frequency in the terahertz band. The numerical analysis shows that the structure has good selectivity and high sensitivity, and the linear fitting of the results provides the possibility to realize the application, which has great competitiveness in the same type of sensor structure. Additionally, we also proved that the interference of H2O and CO2 on the CO sensing can be ignored, and it supports the detection of CO without pre-drying.

Three-dimensional hydrated vanadium pentoxide/MXene composite for high-rate zinc-ion batteries.

Aqueous zinc-ion batteries (ZIBs) have been considered to be potential energy storage devices because of their cost-effectiveness and environmental friendliness. However, most of the cathode materials reported in ZIBs exhibit poor electrochemical performances like capacity fading during cycling and inferior performance at high current densities, which significantly hinder the further development of ZIBs. Here, we reported a novel three-dimensional hydrated vanadium pentoxide (V2O5·nH2O)/MXene composite via a simple one-step hydrothermal method. Owing to the unique structure and high electrical conductivity of MXene, V2O5·nH2O/Ti3C2Tx MXene shows a remarkable electrochemical performance with a reversible capacity of 323 mAh g-1 at 0.1 A g-1 and exceptional rate capability (262 mAh g-1 at 1 A g-1 and 225 mAh g-1 at 2 A g-1) when used as the cathode for aqueous ZIBs. This work offers a new insight into fabricating novel vanadium oxide-based cathode material for aqueous ZIBs.

Fabrication, pore structure and compressive behavior of anisotropic porous titanium for human trabecular bone implant applications.

Porous titanium with average pore size of 100-650 µm and porosity of 30-70% was fabricated by diffusion bonding of titanium meshes. Pore structure was characterized by Micro-CT scan and SEM. Compressive behavior of porous titanium in the out-of-plane direction was studied. The effect of porosity and pore size on the compressive properties was also discussed based on the deformation mode. The results reveal that the fabrication process can control the porosity precisely. The average pore size of porous titanium can be tailored by adjusting the pore size of titanium meshes. The fabricated porous titanium possesses an anisotropic structure with square pores in the in-plane direction and elongated pores in the out-of-plane direction. The compressive Young's modulus and yield stress are in the range of 1-7.5 GPa and 10-110 MPa, respectively. The dominant compressive deformation mode is buckling of mesh wires, but some uncoordinated buckling is present in porous titanium with lower porosity. Relationship between compressive properties and porosity conforms well to the Gibson-Ashby model. The effect of pore size on compressive properties is fundamentally ascribed to the aspect ratio of titanium meshes. Porous titanium with 60-70% porosity has potential for trabecular bone implant applications.