Cation regulation-induced enhancement of dual conductivity facilitating high-stability sodium storage.

Transition-metal sulfides (TMSs) have been demonstrated to be heartening anodes for sodium-ion batteries because of their alterable nanostructures, large theoretical capacity and environmental friendliness. Nevertheless, the insufficient electronic and ionic conductivities of TMSs result in inferior rate performance and cycling durability, which poses a major obstacle to their rapid commercialization. Herein, we propose a cation regulation strategy to modulate the electronic structure of CuS.

Leveraging protein language models for cross-variant CRISPR/Cas9 sgRNA activity prediction.

Motivation: Accurate prediction of single-guide RNA (sgRNA) activity is crucial for optimizing the CRISPR/Cas9 gene-editing system, as it directly influences the efficiency and accuracy of genome modifications. However, existing prediction methods mainly rely on large-scale experimental data of a single Cas9 variant to construct Cas9 protein (variants)-specific sgRNA activity prediction models, which limits their generalization ability and prediction performance across different Cas9 protein (variants), as well as their scalability to the continuously discovered new variants.

Results: In this study, we proposed PLM-CRISPR, a novel deep learning-based model that leverages protein language models to capture Cas9 protein (variants) representations for cross-variant sgRNA activity prediction.

Explainable Deep Multilevel Attention Learning for Predicting Protein Carbonylation Sites.

Protein carbonylation refers to the covalent modification of proteins through the attachment of carbonyl groups, which arise from oxidative stress. This modification is biologically significant, as it can elicit modifications in protein functionality, signaling cascades, and cellular homeostasis. Accurate prediction of carbonylation sites offers valuable insights into the mechanisms underlying protein carbonylation and the pathogenesis of related diseases.

MERIT: Accurate Prediction of Multi Ligand-binding Residues with Hybrid Deep Transformer Network, Evolutionary Couplings and Transfer Learning.

Multi-ligand binding residues (MLBRs) are amino acids in protein sequences that interact with multiple different ligands that include proteins, peptides, nucleic acids, and a variety of small molecules. MLBRs are implicated in a number of cellular functions and targeted in a context of multiple human diseases. There are many sequence-based predictors of residues that interact with specific ligand types and they can be collectively used to identify MLBRs.

Three-dimensional reconstruction of smoke aerosols based on simultaneous multi-view imaging and tomographic absorption spectroscopy.

Smoke aerosols are mixtures of fine particles suspended in the atmosphere. Based on the absorption or scattering of light by these particles, researchers have conducted extensive optical diagnostics studies of smoke aerosol morphology and behavior. However, conventional optical methodologies are restricted to two-dimensional (2D) or single-point measurements.

Evaluation of predictions of disordered binding regions in the CAID2 experiment.

A large portion of the Intrinsically Disordered Regions (IDRs) in protein sequences interact with proteins, nucleic acids, and other types of ligands. Correspondingly, dozens of sequence-based predictors of binding IDRs were developed. A recently completed second community-based Critical Assessments of protein Intrinsic Disorder prediction (CAID2) evaluated 32 predictors of binding IDRs.

Solvent-Dependent Divergent Cyclization of Bicyclo[1.1.0]butanes.

Bicyclo[1.1.0]butanes (BCBs) have recently garnered significant research interest as versatile precursors for synthesizing potential [n.

Switchable and Chemoselective Arene Hydrogenation for Efficient Late Stage Applications.

The incorporation of three-dimensional structures into drug molecules has demonstrated significant improvements in clinical success. Late-stage saturation of drug molecules provides a direct pathway for this transformation. However, achieving selective and controllable reduction of aromatic rings remains challenging, particularly when multiple aromatic rings coexist.

Bismuth-doped fiber amplifier based on a linear cavity double pass structure operating in the O + E band.

Finding suitable fiber amplifiers is one of the key strategies to increase the transmission capacity of fiber links. Recently, bismuth-doped fiber amplifiers (BDFAs) have attracted much attention due to their distinctive ultra-wideband luminescence properties. In this paper, we propose a linear cavity double pass structure for BDFA operating in the O and E bands.

A comprehensive review of protein-centric predictors for biomolecular interactions: from proteins to nucleic acids and beyond.

Proteins interact with diverse ligands to perform a large number of biological functions, such as gene expression and signal transduction. Accurate identification of these protein-ligand interactions is crucial to the understanding of molecular mechanisms and the development of new drugs. However, traditional biological experiments are time-consuming and expensive.

Efficient Homojunction/Heterojunction Photocatalyst via Integrating CsPbBr Quantum Dot Homojunction with TiO for Degradation of Organic Dyes.

A novel TiO-CsPbBr(Q) photocatalyst is proposed and rationally constructed, where CsPbBr perovskite quantum dots (QDs) of various sizes inside mesopore TiO (M-TiO) are integrated. These perovskite QDs, generated in situ within M-TiO, establish a type-II homojunction. Interestingly, a Z-scheme heterojunction is simultaneously formed at the interface between CsPbBr and TiO.

Reaction sites of pyrimidine bases and nucleosides during chlorination: A computational study.

As important components of soluble microbial products in water, nucleobases have attracted much attention due to the high toxicity of their direct aromatic halogenated disinfection by-products (AH-DBPs) during chlorination. However, multiple halogenation sites of AH-DBPs pose challenges to identify them. In this study, reaction sites of pyrimidine bases and nucleosides during chlorination were investigated by quantum chemical computational method.

Late-Stage Saturation of Drug Molecules.

The available methods of chemical synthesis have arguably contributed to the prevalence of aromatic rings, such as benzene, toluene, xylene, or pyridine, in modern pharmaceuticals. Many such sp-carbon-rich fragments are now easy to synthesize using high-quality cross-coupling reactions that click together an ever-expanding menu of commercially available building blocks, but the products are flat and lipophilic, decreasing their odds of becoming marketed drugs. Converting flat aromatic molecules into saturated analogues with a higher fraction of sp carbons could improve their medicinal properties and facilitate the invention of safe, efficacious, metabolically stable, and soluble medicines.

Identification of reaction sites and chlorinated products of purine bases and nucleosides during chlorination: a computational study.

Hypochlorous acid (HOCl) released from activated leukocytes plays a significant role in the human immune system, but is also implicated in numerous diseases due to its inappropriate production. Chlorinated nucleobases induce genetic changes that potentially enable and stimulate carcinogenesis, and thus have attracted considerable attention. However, their multiple halogenation sites pose challenges to identify them.

Comparative skin histological and transcriptomic analysis of Rana kukunoris with two different skin colors.

This study compares the skin structures of Rana kukunoris with two different skin colors living in the same area of Haibei in the Northeastern Qinghai-Tibet Plateau. The skin thickness of the khaki R. kukunoris was significantly greater than that of the brown R.

High-Efficiency Blue-Emitting Mn-Ligand passivated CsPbBr nanoplatelets.

Perovskite nanoplatelets (NPLs), as a promising material to achieve pure blue emission, have attracted significant attention in high gamut displays. However, the high surface-to-volume ratio and the loosely connected ligands of NPLs make them susceptible to degradation from light, air and heat. As a result, NPLs often exhibit low photoluminescence (PL) intensity and instability.

A comprehensive computational benchmark for evaluating deep learning-based protein function prediction approaches.

Proteins play an important role in life activities and are the basic units for performing functions. Accurately annotating functions to proteins is crucial for understanding the intricate mechanisms of life and developing effective treatments for complex diseases. Traditional biological experiments struggle to keep pace with the growing number of known proteins.

Design and Synthesis of Diphosphine Ligands Based on the Chiral Biindolyl Scaffold and Their Application in Transition-Metal Catalysis.

An extremely concise, scalable, and stereoselective synthesis of a privileged chiral skeleton based on 2,2'-biindolyl and commercially available chiral building blocks has been developed. This novel skeleton allows for easy access to a range of bisphosphine ligands (decagram scale, up to 58% total yield, only three steps). The synthetic method is characterized by an efficient central-to-axial chirality transfer strategy.

Microplastics removal mechanisms in constructed wetlands and their impacts on nutrient (nitrogen, phosphorus and carbon) removal: A critical review.

Microplastics (MPs) are now prevalent in aquatic ecosystems, prompting the use of constructed wetlands (CWs) for remediation. However, the interaction between MPs and CWs, including removal efficiency, mechanisms, and impacts, remains a subject requiring significant investigation. This review investigates the removal of MPs in CWs and assesses their impact on the removal of carbon, nitrogen, and phosphorus.

Review on Soil Corrosion and Protection of Grounding Grids.

The corrosion of grounding grid materials in soil is a prominent factor in power and electrical equipment failure. This paper aims to delve into the corrosion characteristics of grounding grid materials and the corresponding methods of safeguarding against this phenomenon. Firstly, the influencing factors of the soil environment on the corrosion of the grounding grid are introduced, including soil physicochemical properties, microorganisms, and stray currents.

Highly efficient and stable CsMnZnBr@SiO for wide color gamut backlight displays.

Mn-based perovskites have become a new candidate material for backlight display applications. However, low efficiency and poor stability are the key problems limiting the application of Mn-based perovskites. In this work, Zn-doped and SiO-encapsulated CsMnBr, denoted as CsMnZnBr@SiO (CMZBS), was successfully synthesized to improve the photoluminescence quantum yield (PLQY) and stability.

Facilitating mitigation of agricultural non-point source pollution and improving soil nutrient conditions: The role of low temperature co-pyrolysis biochar in nitrogen and phosphorus distribution.

The current study generated co-pyrolysis biochar by pyrolyzing rice straw and pig manure at 300 °C and subsequently applying it in a field. Co-pyrolysis biochar demonstrated superior efficiency in mitigating agricultural non-point source pollution compared to biochar derived from individual sources. Furthermore, it displayed notable capabilities in retaining and releasing nutrients, resulting in increased soil levels of total nitrogen, total phosphorus, and organic matter during the maturation stage of rice.

Technologies for performance intensification of floating treatment wetland - An explicit and comprehensive review.

With the wide application of floating treatment wetland (FTW), the limited performance of FTWs should be improved. A comprehensive review is accordingly necessary to summarize the state-of-the-art on FTWs for performance improvement. An attempt has been made to gain information from literature about technologies to enhance the performance of FTWs.

Ru-NHC-Catalyzed Asymmetric, Complete Hydrogenation of Indoles and Benzofurans: One Catalyst with Dual Function.

The highly enantioselective and complete hydrogenation of protected indoles and benzofurans has been developed, affording facile access to a range of chiral three-dimensional octahydroindoles and octahydrobenzofurans, which are prevalent in many bioactive molecules and organocatalysts. Remarkably, we are in control of the nature of the ruthenium N-heterocyclic carbene complex and employed the complex as both homogeneous and heterogeneous catalysts, providing new avenues for its potential applications in the asymmetric hydrogenation of more challenging aromatic compounds.