Engineering Lattice Dislocations of TiO Support of PdZn-ZnO Dual-Site Catalysts to Boost CO Hydrogenation to Methanol.

CO hydrogenation to methanol using green hydrogen derived from renewable resources provides a promising method for sustainable carbon cycle but suffers from high selectivity towards byproduct CO. Here, we develop an efficient PdZn-ZnO/TiO catalyst by engineering lattice dislocation structures of TiO support. We discover that this modification orders irregularly arranged atoms in TiO to stabilize crystal lattice, and consequently weakens electronic interactions with supported active phases.

Enhancing Microdomain Consistency in Polymer Electrolytes towards Sustainable Lithium Batteries.

Polymer electrolytes incorporated with fillers possess immense potential for constructing the fast and selective Li conduction. However, the inhomogeneous distribution of the fillers usually deteriorates the microdomain consistency of the electrolytes, resulting in uneven Li flux, and unstable electrode-electrolyte interfaces. Herein, we formulate a solution-process chemistry to in situ construct gel polymer electrolytes (GPEs) with well-dispersed metal-organic frameworks (MOFs), leading to a uniform microdomain structure.

Enhanced Cooperative Generalized Compressive Strain and Electronic Structure Engineering in W-NiN for Efficient Hydrazine Oxidation Facilitating H Production.

As promising bifunctional electrocatalysts, transition metal nitrides are expected to achieve an efficient hydrazine oxidation reaction (HzOR) by fine-tuning electronic structure via strain engineering, thereby facilitating hydrogen production. However, understanding the correlation between strain-induced atomic microenvironments and reactivity remains challenging. Herein, a generalized compressive strained W-NiN catalyst is developed to create a surface with enriched electronic states that optimize intermediate binding and activate both water and NH.

Insulator-donor electron wavefunction coupling in pseudo-bilayer organic solar cells achieving a certificated efficiency of 19.18.

The incorporation of polymeric insulators has led to notable achievements in the field of organic semiconductors. By altering the blending concentration, polymeric insulators exhibit extensive capabilities in regulating molecular configuration, film crystallinity, and mitigation of defect states. However, current research suggests that the improvement in such physical properties is primarily attributed to the enhancement of thin film morphology, an outcome that seems to be an inevitable consequence of incorporating insulators.

Copper-Catalyzed Oxidative Arylation and Hydroxylation of Indolin-2-ones for Direct Construction of Tetrasubstituted Carbon Centers.

This study introduces a novel methodology for the direct construction of tetrasubstituted centers, utilizing secondary C(sp)-H and C(sp)-H substrates, specifically indolin-2-ones and indoles, through an innovative oxidative cross-coupling reaction. Facilitated by a straightforward copper salt catalyst, this reaction proceeds efficiently at a mild temperature of 40 °C under operationally streamlined conditions. Emphasizing sustainability, this method is notably enhanced by employing air (molecular oxygen) as an eco-friendly oxidant.

Atomically engineering interlayer symmetry operations of two-dimensional crystals.

Crystal symmetry, which governs the local atomic coordination and bonding environment, is one of the paramount constituents that intrinsically dictate materials' functionalities. However, engineering crystal symmetry is not straightforward due to the isotropically strong covalent/ionic bonds in crystals. Layered two-dimensional materials offer an ideal platform for crystal engineering because of the ease of interlayer symmetry operations.

Molecular Design of Positively Charged 3D Covalent-Organic Framework Membranes for Li/Mg Separation.

3D covalent-organic framework (3D COF) membranes have unique features such as smaller pore sizes and more interconnected networks compared with 2D COF counterparts. However, the complicated and unmanageable fabrication hinders their rapid development. Molecular simulation, which can efficiently explore the structure-performance relationship of membranes, holds great promise in accelerating the development of 3D COF membranes.

Solar-Driven Sulfide Oxidation Paired With CO Reduction Based on Vacancies Engineering of Copper Selenide.

Photovoltaic-driven electrochemical (PV-EC) carbon dioxide reduction (COR) coupled with sulfide oxidation (SOR) can efficiently convert the solar energy into chemical energy, expanding its applications. However, developing low-cost electrocatalysts that exhibit high selectivity and efficiency for both COR and SOR remains a challenge. Herein, a bifunctional copper selenide catalyst is developed with copper vacancies (v-CuSe) for the COR-SOR.

A Review on MXene/Nanocellulose Composites: Toward Wearable Multifunctional Electromagnetic Interference Shielding Application.

With the rapid development of mobile communication technology and wearable electronic devices, the electromagnetic radiation generated by high-frequency information exchange inevitably threatens human health, so high-performance wearable electromagnetic interference (EMI) shielding materials are urgently needed. The 2D nanomaterial MXene exhibits superior EMI shielding performance owing to its high conductivity, however, its mechanical properties are limited due to the high porosity between MXene nanosheets. In recent years, it has been reported that by introducing natural nanocellulose as an organic framework, the EMI shielding and mechanical properties of MXene/nanocellulose composites can be synergically improved, which are expected to be widely used in wearable multifunctional shielding devices.

Groupy: An Open-Source Toolkit for Molecular Simulation and Property Calculation.

In this work, an open-source, versatile, and flexible code named Groupy is present for calculating various molecular properties and preparing input files of molecular simulation software such as Gaussian. This code requires only SMILES as input, but can output many new useful data and files in multiple formats. The output information is clear and easy to read.

A Hydrolytically Stable Metal-Organic Framework for Simultaneous Desulfurization and Dehydration of Wet Flue Gas.

Metal-organic frameworks (MOFs) have great prospects as adsorbents for industrial gas purification, but often suffer from issues of water stability and competitive water adsorption. Herein, we present a hydrolytically stable MOF that could selectively capture and recover trace SO from flue gas, and exhibits remarkable recyclability in the breakthrough experiments under wet flue-gas conditions, due to its excellent resistance to the corrosion of SO and the water-derived capillary forces. More strikingly, its SO capture efficiency is barely influenced by the increasing humidity, even if the pore filling with water is reached.

Application of β-Keto Acylpyrazoles as 2C Synthons in Asymmetric Cyclizations of -Hydroxychalcones: Stereoselective Construction of -3,4-Dihydrocoumarins.

An asymmetric tandem esterification/Michael addition reaction of β-keto acylpyrazoles with -hydroxychalcones has been established under the catalysis of a bifunctional squaramide-tertiary amine. A wide variety of biorelevant 3,4-dihydrocoumarin derivatives were generally obtained in high yields (up to 93%) with excellent diastereo- and enantioselectivities (>19:1 dr, up to 93% ee) under mild reaction conditions. This reaction represents the successful application of β-keto acylpyrazoles as 2C building blocks in catalytic asymmetric cyclizations.

Intramolecular Hydrogen Bonds Weaken Interaction Between Solvents and Small Organic Molecules Towards Superior Lithium-Organic Batteries.

The strong interaction between organic electrode materials (OEMs) and electrolyte components induces a high solubility tendency of OEMs, thus hindering the practical application of lithium-organic batteries. Herein, we propose an efficient strategy for intramolecular hydrogen bonds (HBs) to redistribute the charge of OEMs to weaken the interaction with electrolyte components, thereby suppressing their dissolution. For the designed 2,2',2''-(2,4,6-trihydroxybenzene-1,3,5-triyl) tris (1H-naphtho[2,3-d]imidazole-4,9-dione) (TPNQ) molecule, the intramolecular HBs (O-H⋅⋅⋅N and N-H⋅⋅⋅O) reduce the charge density of active sites and alter the charge distribution on the molecular skeleton.

Surface-Assisted Passivation Growth of 2D Ultrathin β-BiO Crystals for High-Performance Polarization-Sensitive Photodetectors.

2D nonlayered materials (NLMs) have garnered considerable attention due to unique surface structure and bright application prospect. However, owing to the strong interatomic forces caused by intrinsic isotropic chemical bonds in all directions, the direct synthesis of ultrathin and large area 2D NLMs remains a tremendous challenge. Here, the surface-assisted passivation growth strategy is designed to synthesize ultrathin and large size β-BiO crystals with the thickness down to 0.

In Situ Welding Ionic Conductive Breakpoints for Highly Reversible All-Solid-State Lithium-Sulfur Batteries.

Poly(ethylene oxide) (PEO)-based solid-state lithium-sulfur batteries (SSLSBs) have garnered considerable interest owing to their impressive energy density and high safety. However, the dissolved lithium polysulfide (LiPS) together with sluggish reaction kinetics disrupts the electrolyte network, bringing about ionic conductive breakpoints and severely limiting battery performance. To cure this, we propose an in situ welding strategy by introducing phosphorus pentasulfide (PS) as the welding filler into PEO-based solid cathodes.

Organotropic Engineering of Luminescent Gold Nanoclusters for In Vivo Imaging of Lung Orthotopic Tumors.

Gold nanoclusters (AuNCs) are emerging as promising functional probes for bioapplications. However, because of rapid renal clearance, it is a challenge to tailor their biofate and improve their disease-targeting ability in vivo. Herein, we report an efficient strategy to tailor their organotropic actions by rationally designing AuNC assemblies.

Leveraging independent component analysis to unravel transcriptional regulatory networks: A critical review and future directions.

Transcriptional regulatory networks (TRNs) play a crucial role in exploring microbial life activities and complex regulatory mechanisms. The comprehensive reconstruction of TRNs requires the integration of large-scale experimental data, which poses significant challenges due to the complexity of regulatory relationships. The application of machine learning tools, such as clustering analysis, has been employed to investigate TRNs, but these methods have limitations in capturing both global and local co-expression effects.

Investigating the determinants of Singaporean citizens' attitudes toward marine litter pollution control: A policy acceptance model.

The problem of marine litter has caused significant threat to marine environment and human health, and has attracted wide attention. It is estimated that the weight of plastic waste in the oceans will exceed that of fish by 2050. Since a large part of marine debris originate from land-based domestic waste, developing relevant policies to manage the disposal of domestic garbage can effectively prevent and control marine litter pollution.

Nmix: a hybrid deep learning model for precise prediction of 2'-O-methylation sites based on multi-feature fusion and ensemble learning.

RNA 2'-O-methylation (Nm) is a crucial post-transcriptional modification with significant biological implications. However, experimental identification of Nm sites is challenging and resource-intensive. While multiple computational tools have been developed to identify Nm sites, their predictive performance, particularly in terms of precision and generalization capability, remains deficient.

Self-Diffusion Effect Assisted TiO/LiPO Electron Selective Passivating Contact in Silicon Solar Cells Approaching 23% Efficiency.

Carrier selective contacts with passivation effects are considered to have a significant influence on the performance of crystalline silicon (c-Si) solar cells. It is essential for electron selective contact materials to meet the requirements of ultra-low contact resistance and excellent passivation effects. This work introduces a stack layer of Lithium Phosphate (LiPO) /Titanium Dioxide (TiO) as a new electron selective passivating contact.

Alkylated RALA-Derived Peptides for Efficient Gene Delivery.

RALA is an amphipathic cationic peptide demonstrated to be a low-toxicity and high-efficiency delivery platform for the systemic delivery of nucleic acid therapeutics. This work reports three RALA-derived peptides modified with N-terminal palmitic acid, engineered through amino acid substitutions and truncated sequences. All three peptides have good nucleic acid encapsulation, release and uptake, biocompatibility, and endolysosome escape.

Sapiential battery systems: beyond traditional electrochemical energy.

As indispensable energy-storage technology in modern society, batteries play a crucial role in diverse fields of 3C products, electric vehicles, and electrochemical energy storage. However, with the growing demand for future electrochemical energy devices, lithium-ion batteries as an existing advanced battery system face a series of significant challenges, such as time-consuming manual material screening, safety concerns, performance degradation, non-access in the off-grid state, poor environmental adaptability, and pollution from waste batteries. Accordingly, incorporating the characteristics of sapiential life into batteries to construct sapiential systems is one of the most engaging tactics to tackle the above issues.

Ultrasound-Assisted Remote Benzylic C(sp)-H Alkylation of -Fluoroamides with Enol Silanes.

We have developed an ultrasound-assisted remote benzylic C(sp)-H alkylation of -fluorobenzamides with enol silanes; a series of β-aryl substituted propiophenones was generated in good to high yields. This reaction represents a C(sp)-C(sp) coupling and features simplicity, high efficiency, and wide substrate scope in a multiple-step sequential process, which involves N-F homolysis, 1,5-hydrogen atom transfer, benzylic radical addition, oxidation by copper(II) salt, and removal of the trimethylsilyl group. Also, DFT theoretical calculations and Marcus theory were employed to consolidate the proposed reaction mechanism.