Procyanidin-crosslinked gradient silk fibroin composite nanofiber scaffold with sandwich structure for rotator cuff repair.

Improving the regeneration of the tendon-bone interface (TBI) helps to decrease the risk of rotator cuff retears after repair surgeries. Unfortunately, the lack of inherent healing capacity of the TBI, insufficient mechanical properties, and abnormal and persistent inflammation during repair are the key factors leading to suboptimal healing of the rotator cuff. Therefore, a high-strength rotator cuff repair material capable of regulating the unbalanced immune response and enhancing the regeneration of the TBI is urgently needed.

Enormous Out-of-Plane Charge Rectification and Conductance through Two-Dimensional Monolayers.

Heterogeneous integration of emerging two-dimensional (2D) materials with mature three-dimensional (3D) silicon-based semiconductor technology presents a promising approach for the future development of energy-efficient, function-rich nanoelectronic devices. In this study, we designed a mixed-dimensional junction structure in which a 2D monolayer (e.g.

Dimensional engineering of interlayer for efficient large-area perovskite solar cells with high stability under ISOS-L-3 aging test.

The utilization of low-dimensional perovskites (LDPs) as interlayers on three-dimensional (3D) perovskites has been regarded as an efficient strategy to enhance the performance of perovskite solar cells. Yet, the formation mechanism of LDPs and their impacts on the device performance remain elusive. Herein, we use dimensional engineering to facilitate the controllable growth of 1D and 2D structures on 3D perovskites.

Tuning the electronic structure and SMSI by integrating trimetallic sites with defective ceria for the CO reduction reaction.

Heterogeneous catalysts have emerged as a potential key for closing the carbon cycle by converting carbon dioxide (CO) into value-added chemicals. In this work, we report a highly active and stable ceria (CeO)-based electronically tuned trimetallic catalyst for CO to CO conversion. A unique distribution of electron density between the defective ceria support and the trimetallic nanoparticles (of Ni, Cu, Zn) was established by creating the strong metal support interaction (SMSI) between them.

Nanoarchitectonics of a Skin-Like Polymeric Hydrogel with High Anti-Swelling and Self-Adhesion Performance for Underwater Communication.

Hydrogels are flexible materials characterized by a 3D network structure, which possess high water content and adjustable physicochemical properties. They have found widespread applications in tissue engineering, electronic skin, drug delivery, flexible sensors, and photothermal therapy. However, hydrogel networks often exhibit swelling behavior in aqueous environments, which can result in structural degradation and a loss of gel performance.

Self-consistent electron density with shell structure using neural network-based Pauli potential.

The orbital-free density functional theory (OF-DFT) based method is a convenient tool to carry out electronic structure calculations scaling almost linearly with the number of electrons. However, the main impediment in the application of this method is the unavailability of the accurate form for the non-interacting kinetic energy functional in terms of electron density. The Pauli kinetic energy functional is the unknown part of the kinetic energy functional, and the corresponding Pauli potential appears in the governing Euler equation.

Selected configuration interaction for high accuracy and compact wave functions: Propane as a case study.

Traditionally, because of the limit of full configuration interaction, complete active space (CAS) theory is most often used to model bond dissociation and other dynamical processes where the multi-reference character becomes important. Inconveniently, the CAS method is highly dependent on the choice of active space and, therefore, inherently non-black-box, in addition to the exponential scaling with respect to electrons and orbitals. This illustrates the need for methods that can accurately treat multi-reference electronic structure problems without significant dependence on input parameters.

Deciphering the Photophysical Properties of Nonplanar Heterocyclic Compounds in Different Polarity Environments.

Nonplanar (butterfly-shaped) phenothiazine () and its derivative's () photophysical and spectral properties have been tuned by varying the solvents and their polarity and investigated employing spectroscopic techniques such as UV-Vis, steady-state and time-resolved fluorescence, and TDDFT calculations. The UV-Vis absorption studies and TDDFT calculations reveal two distinct bands for both compounds: a strong π-π* transition at shorter wavelengths and a weaker -π* transition, which displays a little bathochromic shift in polar solvents. The detailed emission studies reveal that such dual emission is a result of the photoinduced excited-state conjugation enhancement (ESCE) process.

Overcoming Energy-Scaling Barriers: Efficient Ammonia Electrosynthesis on High-Entropy Alloy Catalysts.

Electrochemically converting nitrate (NO ) to value-added ammonia (NH) is a complex process involving an eight-electron transfer and numerous intermediates, presenting a significant challenge for optimization. A multi-elemental synergy strategy to regulate the local electronic structure at the atomic level is proposed, creating a broad adsorption energy landscape in high-entropy alloy (HEA) catalysts. This approach enables optimal adsorption and desorption of various intermediates, effectively overcoming energy-scaling limitations for efficient NH electrosynthesis.

Position Optimization of Bulky Tetraphenylsilane in Multiple Resonance Molecules for Highly Efficient Narrowband OLEDs.

Multiple resonance (MR)-type thermally activated delayed fluorescence (TADF) emitters have garnered significant interest due to their narrow full width at half maximum (FWHM) and high electroluminescence efficiency. However, the planar structures and large singlet-triplet energy gaps (ΔEs) characteristic of MR-TADF molecules pose challenges to achieving high-performance devices. Herein, two isomeric compounds, p-TPS-BN and m-TPS-BN, are synthesized differing in the connection modes between a bulky tetraphenylsilane (TPS) group and an MR core.

3D-printed constructs deliver bioactive cargos to expedite cartilage regeneration.

Cartilage is solid connective tissue that recovers slowly from injury, and pain and dysfunction from cartilage damage affect many people. The treatment of cartilage injury is clinically challenging and there is no optimal solution, which is a hot research topic at present. With the rapid development of 3D printing technology in recent years, 3D bioprinting can better mimic the complex microstructure of cartilage tissue and thus enabling the anatomy and functional regeneration of damaged cartilage.

Density Functional Theory Investigation of 2D Phase Separated Graphene/Hexagonal Boron Nitride Monolayers; Band Gap, Band Edge Positions, and Photo Activity.

Creating sustainable and stable semiconductors for energy conversion via catalysis, such as water splitting and carbon dioxide reduction, is a major challenge in modern materials chemistry, propelled by the limited and dwindling reserves of platinum group metals. Two-dimensional hexagonal borocarbonitride (h-BCN) is a metal-free alternative and ternary semiconductor, possessing tunable electronic properties between that of hexagonal boron nitride (h-BN) and graphene, and has attracted significant attention as a nonmetallic catalyst for a host of technologically relevant chemical reactions. Herein, we use density functional theory to investigate the stability and optoelectronic properties of phase-separated monolayer h-BCN structures, varying carbon concentration and domain size.

Electrically Pumped -BN Single-Photon Emission in van der Waals Heterostructure.

Atomic defects in solids offer a versatile basis to study and realize quantum phenomena and information science in various integrated systems. All-electrical pumping of single defects to create quantum light emission has been realized in several platforms including color centers in diamond and silicon carbide, which could lead to the circuit network of electrically triggered single-photon sources. However, a wide conduction channel which reduces the carrier injection per defect site has been a major obstacle.

Electronic structure modulation of ultrathin PtRuMoCoNi high-entropy alloy nanowires for boosting peroxidase-like activity and sensitive colorimetric determination of isoniazid and hydrazine.

Self-supported ultrathin PtRuMoCoNi high-entropy alloy nanowires (HEANWs) were synthesized by a one-pot co-reduction method, whose peroxidase (POD)-like activity and catalytic mechanism were elaborated in detail. As expected, the PtRuMoCoNi HEANWs showed excellent POD-like activity. It can quickly catalyze the oxidization of colorless 3,3',5,5'-tetramethylbenzidine (TMB) to blue TMB through decomposition of HO to superoxide radicals.

Local structure of amorphous sulfur in carbon-sulfur composites for all-solid-state lithium-sulfur batteries.

All-solid-state (ASS) batteries are a promising solution to achieve carbon neutrality. ASS lithium-sulfur (Li-S) batteries stand out due to their improved safety, achieved by replacing organic solvents, which are prone to leakage and fire, with solid electrolytes. In addition, these batteries offer the benefits of higher capacity and the absence of rare metals.

Intervalence plasmons in boron-doped diamond.

Doped semiconductors can exhibit metallic-like properties ranging from superconductivity to tunable localized surface plasmon resonances. Diamond is a wide-bandgap semiconductor that is rendered electronically active by incorporating a hole dopant, boron. While the effects of boron doping on the electronic band structure of diamond are well-studied, any link between charge carriers and plasmons has never been shown.

Vialess heterogeneous skin patch for multimodal monitoring and stimulation.

System-level wearable electronics require to be flexible to ensure conformal contact with the skin, but they also need to integrate rigid and bulky functional components to achieve system-level functionality. As one of integration methods, folding integration offers simplified processing and enhanced functionality through rigid-soft region separation, but so far, it has mainly been applied to modality of electrical sensing and stimulation. This paper introduces a vialess heterogeneous skin patch with multi modalities that separates the soft region and strain-robust region through folded structure.

Multiple Myeloma in Italy: An Epidemiological Model by Treatment Line and Refractoriness Status.

Background: Multiple myeloma (MM) clinical management is challenging owing to its relapse and refractoriness to treatment. Understanding the treatment patterns and refractory dynamics is crucial for optimizing patient care. This study aimed to estimate the evolution of MM according to the treatment line and refractoriness status in Italy.

A review on evolution, structural characteristics, interactions, and regulation of the membrane transport protein: The family of Rab proteins.

Rab proteins are a key family of small GTPases that play crucial roles in vesicular trafficking, membrane dynamics, and maintaining cellular homeostasis. Studying this family of proteins is interesting as having many structural isoforms with variable evolutionary trends and wide distribution in cells. The proteins are renowned for their unique structural characteristics, which support their functional adaptability and specificity.

Structural analyses of Cryptosporidium parvum epitopes reveal a novel scheme of decapeptide binding to H-2K.

Cryptosporidium has gained much attention as a major cause of diarrhea worldwide. Here, we present the first structure of H-2K complexed with a decapeptide from Cryptosporidium parvum Gp40/15 protein (Gp40/15-VTF10). In contrast to all published structures, the aromatic residue P3-Phe of Gp40/15-VTF10 is anchored in pocket C rather than the canonical Y/F at P5 or P6 reported for octapeptides and nonapeptides.

Inter-Species Dynamics of Non-Coding RNAs: Impact on Host Immunomodulation and Pathogen Survival.

Non-coding RNAs (ncRNAs) are composed of nucleotides that do not encode proteins but instead serve as guides. It interacts with amino acids at precise genomic sites, influencing chromatin structure and gene expression. These ncRNAs contribute to numerous inter-species dynamics, including those within the vector-host-pathogen triad.

The structural biology of deoxyhypusination complexes.

Deoxyhypusination is the first rate-limiting step of the unique post-translational modification-hypusination-that is catalyzed by deoxyhypusine synthase (DHS) and deoxyhypusine hydroxylase (DOHH). This modification is essential for the activation of translation factor 5A in eukaryotes (eIF5A) and Archaea (aIF5A). This perspective focuses on the structural biology of deoxyhypusination complexes in eukaryotic and archaeal organisms.

Mg-dependent mechanism of environmental versatility in a multidrug efflux pump.

Tripartite resistance nodulation and cell division multidrug efflux pumps span the periplasm and are major drivers of multidrug resistance among gram-negative bacteria. Cations, such as Mg, become concentrated within the periplasm and, in contrast to the cytoplasm, its pH is sensitive to conditions outside the cell. Here, we reveal an interplay between Mg and pH in modulating the structural dynamics of the periplasmic adapter protein, AcrA, and its function within the prototypical AcrAB-TolC multidrug pump from Escherichia coli.

A nationwide provider survey of neuro-oncology tumor boards in a lower-middle-income country: Comparing centers with and without tumor boards.

Objectives: To provide information about implementation, resources, practice patterns and prevalent perceptions regarding neuro-oncology tumor boards (NOTBs) in a lower middle income country.

Methods: A nationwide survey was designed to include licensed neurosurgeons involving data on practice, structure, and perceptions of NOTBs with non-probability sampling, a pre-validated proforma, data analysis using SPSS v27, and geospatial mapping using Quantum GIS.

Results: 139 neurosurgeons were surveyed from 63 neurosurgical centers of a lower middle income country.

SD-LayerNet: Robust and label-efficient retinal layer segmentation via anatomical priors.

Background And Objectives: Automated, anatomically coherent retinal layer segmentation in optical coherence tomography (OCT) is one of the most important components of retinal disease management. However, current methods rely on large amounts of labeled data, which can be difficult and expensive to obtain. In addition, these systems tend often propose anatomically impossible results, which undermines their clinical reliability.