Frontiers in Chemistry | New and Recent Articles

Proteolysis Targeting Chimera (PROTAC) is an innovative drug discovery strategy that utilizes bifunctional small molecules to bring a target protein (POI) into proximity with an E3 ubiquitin ligase, thereby inducing ubiquitination of the pathogenic protein and its subsequent degradation by the proteasome. PROTACs exhibit a novel mechanism of action, catalytic efficiency, high selectivity, and bro…

A very recent experimental study [Proc. Natl. Acad. Sci. U.S.A. 123 (10) e2524790123] demonstrated that non-functionalized graphene (Gr) supported on silicon(111) catalyzed the decomposition of small sulfur-containing compounds under ultra-high vacuum. Accompanying density functional theory (DFT) calculations identify grain boundary defects (GBDs) and interfacial defects as the active sites. Func…

Carbon-based nanomaterials (CBNs), including carbon nanotubes (CNTs), fullerenes, and graphene (GN), have attracted significant attention due to their unique structural, electrical, mechanical, and biocompatible properties. Their high surface area, excellent biocompatibility, and tunable physicochemical characteristics enable a wide range of applications, particularly in biomedicine, electronics,…

Lithium-sulfur (Li-S) batteries are promising next-generation energy storage systems due to their high theoretical energy density. However, their practical implementation is hindered by the low conductivity of sulfur and the polysulfide shuttle effect. In this work, garlic-braid-derived biochar was investigated as a sustainable sulfur host for Li-S battery cathodes. Biochar obtained from garlic b…

BackgroundMajor depressive disorder (MDD) in adolescents remains a significant public health challenge. Treatment-resistant depression (TRD) affects a substantial proportion of cases and is associated with chronic symptoms, comorbidities, and elevated suicide risk. Standard treatments frequently show limited success, leading to off-label consideration of atypical antipsychotics as augmentation ag…

Fingerprints are still one of the most effective means of forensic detection but degradation during the recovery process leads to a loss of contrast between ridge and background, making them difficult to visualize. In this study spinel copper aluminate (CuAl2O4) nanoparticles were synthesized by a facile and cost effective sol-gel method and evaluated for latent fingerprints (LFPs) development on…

The immobilization of glucose oxidase (GOx) in ordered mesoporous silica can provide a stable and efficient platform for glucose sensing and biocatalytic applications. This work examines a reaction-diffusion model governing glucose transport and enzymatic conversion inside GOx-loaded SBA-15 structures, with attention to both rod-shaped and cuboid particle geometries. Three coupled phenomena are i…

An overview of how heterogeneous metal-based nanocatalysts can hydrogenate nitroarenes to amino arenes has drawn a lot of interest because of its industrial significance as an intermediate in the production of plastics, as well as for the pharmaceutical, agrochemical and material sciences industries. Novel nanocatalysts, including noble (Pd, Pt, Au, Ru, Rh and Ag) and non-noble (Cu, Fe, Ni, Co an…

Superalkalis are defined as the species having lower ionisation energies (IEs) than alkali atoms or the cations having lower electron affinities than alkali cations. Typical examples include FLi2+, OLi3+, NLi4+, etc., which can be represented by the general formula of XMk+1, where X is a central electronegative atom of valency k, and M represents alkali metal ligands. Enormous progress has been m…

The accumulation of root-exuded berberine (BER) in soil is a key contributor to continuous cropping obstacles, threatening sustainable agriculture. In this study, a novel biochar–montmorillonite composite was synthesized via co-ball milling using traditional Chinese medicine residue derived biochar and montmorillonite (Mt) for berberine removal. The composite exhibited superior adsorption perform…

BackgroundDendrobium huoshanense is a valuable medicinal herb in Traditional Chinese Medicine renowned for its polysaccharides which are considered a core pharmacological component, particularly for their anti-inflammatory properties. The herb is commonly subjected to wine-steaming processing to enhance its efficacy, yet the scientific rationale behind this traditional method remains insufficient…

IntroductionDual ubiquitination mediated by S-phase kinase-associated protein 2 (SKP2) plays a critical role in breast cancer progression by directing substrates toward either proteasomal degradation or signaling activation. However, the structural determinants governing SKP2 recognition of different ubiquitin-linked substrates, particularly p27 and Akt1, remain poorly understood.MethodsTo invest…

Bismuth oxyiodide (BiOI) features alternating [Bi2O2]2+ layers and double I− interlayers, which forms an intrinsic electric field that enhances charge carrier transfer and facilitates the efficient separation of photogenerated electron-hole pairs. Owing to its exceptional visible-light absorption capability and high photocatalytic activity, BiOI has emerged as a promising candidate for environmen…

Accurate determination of the transition states is central to an understanding of reaction kinetics. Double-endpoint methods where both the initial and final states are specified, such as the climbing image nudged elastic band (CI-NEB), identify the minimum energy path between the two and thereby the saddle point on the energy surface that is relevant for the given transition, thus providing an e…