Facile synthesis and biomimetic amine-functionalization of chitosan foam for CO capture.

A high-performance biomass-based adsorption materials could be the promising trend for CO capture and storage technology. However, the direct application of biomass-based porous materials as a CO adsorbent with enhanced performance is an emerging issue. Herein, a facile synthesis and a biomimetic strategy were combined to prepare amine-functionalized chitosan foam for CO capture, and then a porous biomass is achieved for the application on the environment protection field.

Chemically Recyclable, Reprocessable, and Mechanically Robust Reversible Cross-Linked Polyurea Plastics for Fully Recyclable Aramid Fiber Reinforced Composites.

Aramid fiber reinforced composites (AFRCs) have received increasing attention because of their excellent comprehensive performance including high mechanical strength, high modulus, and light weight. However, full recycling of AFs from ARCFs is difficult to achieve. Herein, fully recyclable ARCFs are fabricated using reversible cross-linked polyurea plastics (PUHA) as the matrix.

Textile Bandwidth-Enhanced Half-Mode Substrate-Integrated Cavity Antenna Based on Embroidered Shorting Vias.

A textile bandwidth-enhanced half-mode substrate-integrated cavity (HMSIC) antenna based on embroidered shorting vias is designed. Based on the simulated results of the basic HMSIC antenna, two embroidered hollow posts with square cross-sections are added as shorting vias at the intersections of the zero-E traces of the TM210HM and TM020HM modes to shift the TM010HM-mode band to merge with the bands of the higher-order modes for bandwidth enhancement. A prototype is practically fabricated based on computerized embroidery techniques.

Toughening Mechanism in Nanotwinned Boron Carbide: A Molecular Dynamics Study.

Boron carbide ceramics are potentially ideal candidates for lightweight bulletproof armor, but their use is currently limited by their low fracture toughness. Recent experimental results have shown that sintered samples with high twin densities exhibit high fracture toughness, but the toughening mechanism and associated crack propagation process of nanotwinned boron carbide at the atomic scale remain a mystery. Reported here are molecular dynamics simulations with a reactive force field potential to investigate how nanoscale twins affect the fracture toughness of boron carbide ceramics.

Enhanced Propylene/Propane Separation via Aniline-Decorated ZIF-8 Membrane: Lattice Rigidity Adjustment and Adsorption Site Introduction.

Metal-organic framework (MOF)-based membranes excel in molecular separation, attracting significant research interest. The crystallographic microstructure and selective adsorption capacity of MOFs closely correlate with their gas separation performance. Here, aniline was added to the ZIF-8 synthesis in varying concentrations.

Facile Preparation of High-Performance Free-Standing Micro-Supercapacitors by Optimizing Oxygen Groups on Graphene.

Free-standing micro-supercapacitor (MSC) devices without substrate or current collectors are promising for practical applications. However, it is still difficult to prepare high-performance free-standing MSC devices because of the requirement of optimized active sites, conductivity, ion diffusion, controlled patterns, moisture susceptibility, etc. Here, it is proposed that the optimization of oxygen level on graphene is promising to solve these requirements because of the balance of sp and sp hybridization.

The low-entropy hydration shell mediated ice-binding mechanism of antifreeze proteins.

Antifreeze proteins (AFPs) can inhibit ice crystal growth. The ice-binding mechanism of AFPs remains unclear, yet the hydration shells of AFPs are thought to play an important role in modulating the binding of AFPs and ice. Here, we performed all-atom molecular dynamics simulations of an AFP from Choristoneura fumiferana (CfAFP) at four different temperatures, with a focus on analysis at 240 and 300 K, to investigate the dynamic and thermodynamic characteristics of hydration shells around ice-binding surfaces (IBS) and non-ice-binding surfaces (NIBS).

The Grafting of Hydroxyaromatic Organics within Layered Perovskites via a Microwave-Assisted Method.

A new series of inorganic-organic hybrid perovskite materials were prepared by microwave-assisted grafting reactions. Simple carboxylic acids, acetic acid, and propionic acid, as well as hydroxyaromatic carboxylic acids, 3,5-dihydroxy benzoic acid (DBA), 5-hydroxyisophthalic acid (HPA), 4-hydroxybenzoic acid (HBA), and 4-hydroxy-4-biphenyl carboxylic acid (HBCA), were reacted with the Dion-Jacobson double-layered perovskite, HLaNbO and its alcoxy derivatives. Grafting was found to not occur with simple carboxylic acids, while those molecules with hydroxyls were all attached to the perovskite interlayers.

The Influence of Cold Forming and Heat Treatment Processes on the Mechanical and Fracture Properties of AA6016 Aluminum Sheets.

In order to ascertain the mechanical properties and fracture performance of AA6016 aluminum sheets after cold forming and heat treatment processes, uniaxial tensile tests and fracture tests were conducted under various pre-strain conditions and heat treatment parameters. The experimental outcomes demonstrated that pre-strain and heat treatment had significant impacts on both stress-strain curves and fracture properties. Pre-strain plays a predominant role in influencing the mechanical and fracture properties.

Synthesis, Structure and Properties of Polyester Polyureas via a Non-Isocyanate Route with Good Combined Properties.

Polyureas have been widely applied in many fields, such as coatings, fibers, foams and dielectric materials. Traditionally, polyureas are prepared from isocyanates, which are highly toxic and harmful to humans and the environment. Synthesis of polyureas via non-isocyanate routes is green, environmentally friendly and sustainable.

Porous rod-shaped FeO/Ag/BP: a novel substrate for highly sensitive SERS detection of persistent organic pollutants.

A surface enhanced Raman scattering (SERS) substrate of porous rod-shaped ferric oxide (FeO) combined with silver nanoparticles (Ag NPs) and black phosphorus (FeO/Ag/BP) was fabricated to detect the persistent organic pollutants (POPs) at low concentration. The organic pollutant Rhodamine 6G (R6G) was used as the probe molecule to study the performances of FeO/Ag/BP, and 4-chlorobiphenyl (PCB-3) was the target of detection. The limit of detection (LOD) of R6G based on this novel SERS substrate FeO/Ag/BP was as low as 1.

A single carbon nanotube-entangled high-performance buckypaper with tunable fracture mode.

It is well known that the traditional buckypaper (BP) is composed of a certain number of short carbon nanotubes (CNTs) intertwined with each other and sliding always happens when the BP is under tensile and impact loading, which results in inferior mechanical properties compared to single CNTs. In this work, a highly-entangled single-wire BP (SWBP) structure is constructed by a modified self-avoiding random walk approach. The in-plane mechanical properties and impacting behaviors of the SWBPs with different entanglement degrees and interface frictions are systematically investigated newly developed coarse-grained molecular dynamics (CGMD) simulation.

Impact of vitamin E in improving comfort, moisture management and mechanical properties of flame-retardant treated cotton fabric.

The aim of this study is to analyze the use of vitamin E to enhance fabric's hand feel, moisture management and fabric strength which are affected due to flame retardant finish. Flame retardant treated fabrics typically become stiff, but the addition of Vitamin E along with emulsifier and binding agent through a vertical padding mangle by two times dipping and nipping results a soft fabric without impairing the flammability properties as determined by 45-degree flammability test. The samples were characterized by FTIR spectra, SEM images, and water contact angle.

Correction: Blanco et al. Synthesis and Characterization of [Fe(Htrz)(trz)](BF)] Nanocubes. 2022, , 1213.

After publication of the paper [...

Holistic understanding of ventilation rate in occupational health risk control.

Throughout the history of occupational health risk control, ventilation has been implemented widely as a tried-and-true method to reduce exposure intensity to airborne contaminants. Proper determination of the ventilation rate merits careful consideration when addressing concerns directed toward occupational health and indoor air quality in commercial buildings, albeit this does not translate well among the current engineering and scientific community. This article aims to facilitate a better understanding and proper determination of ventilation rates as a countermeasure for occupational health risk control.

Low-Entropy Hydration Shells at the Spike RBD's Binding Site May Reveal the Contagiousness of SARS-CoV-2 Variants.

The infectivity of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is primarily determined by the binding affinity between the receptor-binding domain (RBD) of the spike protein and the angiotensin-converting enzyme 2 (ACE2) receptor. Here, through screening off pseudo hydrophilic groups on protein surfaces, the distribution of low-entropy regions on hydration shells of the ACE2 receptor and the RBDs of multiple SARS-CoV-2 variants was demonstrated. Shape matching between the low-entropy hydration shells of multiple SARS-CoV-2 variants and the ACE2 receptor has been identified as a mechanism that drives hydrophobic attraction between the RBDs and the ACE2 receptor, which estimates the binding affinity.

Impact of AlphaFold on structure prediction of protein complexes: The CASP15-CAPRI experiment.

We present the results for CAPRI Round 54, the 5th joint CASP-CAPRI protein assembly prediction challenge. The Round offered 37 targets, including 14 homodimers, 3 homo-trimers, 13 heterodimers including 3 antibody-antigen complexes, and 7 large assemblies. On average ~70 CASP and CAPRI predictor groups, including more than 20 automatics servers, submitted models for each target.

Ultra-Compact Low-Pass Spoof Surface Plasmon Polariton Filter Based on Interdigital Structure.

An ultra-compact low-pass spoof surface plasmon polariton (SSPP) filter based on an interdigital structure (IS) is designed. Simulated dispersion curves show that adding the interdigital structure in an SSPP unit effectively reduces its asymptotic frequency compared with traditional and T-shaped SSPP geometries, and the unit dimensions can be conversely reduced. Based on that, three IS-based SSPP units are, respectively, designed with different maximum intrinsic frequencies and similar asymptotic frequencies to constitute the matching and waveguide sections of the proposed filter, and the unit number in the waveguide section is adjusted to improve the out-of-band suppression.

High color rendering and high-luminance laser lighting using all inorganic nitride phosphor films.

Despite the huge advances that have been made in the development of ultra-high luminance laser lighting, achieving high color rendering properties in such systems at the same time remains a challenge. Recent studies show that in most cases, the luminous efficacy (LE) of laser lighting is compromised to improve the color rendering index (CRI). In this study, a possible solution to this problem has been proposed by preparing phosphor-in-glass (PiG) films comprised of the yellow-emitting phosphor (LSN:Ce) and the red-emitting phosphor (CASN:Eu).

Thermal Conductivity of 3C/4H-SiC Nanowires by Molecular Dynamics Simulation.

Silicon carbide (SiC) is a promising material for thermoelectric power generation. The characterization of thermal transport properties is essential to understanding their applications in thermoelectric devices. The existence of stacking faults, which originate from the "wrong" stacking sequences of Si-C bilayers, is a general feature of SiC.

Spatial Layouts of Low-Entropy Hydration Shells Guide Protein Binding.

Protein-protein binding enables orderly biological self-organization and is therefore considered a miracle of nature. Protein‒protein binding is driven by electrostatic forces, hydrogen bonding, van der Waals force, and hydrophobic interactions. Among these physical forces, only hydrophobic interactions can be considered long-range intermolecular attractions between proteins due to the electrostatic shielding of surrounding water molecules.

Superhardness in nanotwinned boron carbide: a molecular dynamics study.

Boron carbide ceramics are often considered ideal materials for lightweight bulletproof armor, but their anomalous brittle failure at hypervelocity impact limits their use. Recent experiments have reported that nanotwins are ubiquitous in boron carbide and that nanotwinned samples are harder than the twin-free boron carbide, but although the strengthening effect of nanotwins on metals and alloys is well-established, their role in boron carbide ceramics is not well understood. In this study, we used classical molecular dynamics simulations to investigate how nanoscale twins affect the mechanical properties of boron carbide ceramics.

Ambient Pressure Ir@Hal-Catalyzed Hydrogenation of Aryl Aldehydes, Ketones, and Phenol.

A reliable method for encapsulation of iridium nanoparticles (6-8 nm particles) in halloysite Ir@Hal has been developed. The Ir@Hal nanocomposite was found to be a highly efficient catalyst for the hydrogenation and transfer hydrogenation of the carbonyl group of aryl aldehydes, aryl ketones, and aliphatic ketones to afford alcohols in high yields. In addition, phenol could be hydrogenated to furnish cyclohexanol (93-95% yield) at ambient pressure at 50 °C.

Macrocycle Self-Assembly Hydrogel for High-Efficient Oil-Water Separation.

Supramolecular hydrogels involved macrocycles have been explored widely in recent years, but it remains challenging to develop hydrogel based on solitary macrocycle with super gelation capability. Here, the construction of lantern[3 ]arene-based hydrogel with low critical gelation concentration (0.05 wt%), which can be used for efficient oil-water separation, is reported.

Textile Bandwidth-Enhanced Polarization-Reconfigurable Half-Mode Substrate-Integrated Cavity Antenna.

A textile bandwidth-enhanced polarization-reconfigurable half-mode substrate-integrated cavity antenna was designed for wearable applications. A slot was cut out from the patch of a basic textile HMSIC antenna to excite two close resonances to form a wide -10 dB impedance band. The simulated axial ratio curve indicates the linear and circular polarization of the antenna radiation at different frequencies.