Cysteine-Specific F and NIR Dual Labeling of Peptides via Vinyltetrazine Bioorthogonal Conjugation for Molecular Imaging.

Radiolabeled peptides are vital for positron emission tomography (PET) imaging, yet the F-labeling peptides remain challenging due to harsh conditions and time-consuming premodification requirements. Herein, we developed a novel vinyltetrazine-mediated bioorthogonal approach for highly efficient F-radiolabeling of a native peptide under mild conditions. This approach enabled radiosynthesis of various tumor-targeting PET tracers, including targeting the neurofibromin receptor (), the integrin αβ (), and the platelet-derived growth factor receptor β (), with a radiochemical yield exceeding 90%.

Lanosterol 14α-Demethylase (CYP51)/Heat Shock Protein 90 (Hsp90) Dual Inhibitors for the Treatment of Invasive Candidiasis.

Invasive candidiasis has attracted global attention with a high incidence and mortality. Current antifungal drugs are limited by unfavorable therapeutic efficacy, significant hepatorenal toxicity, and the development of drug resistance. Herein, we designed the first generation of lanosterol 14α-demethylase (CYP51)/heat shock protein 90 (Hsp90) dual inhibitors on the basis of antifungal synergism.

Advances and Challenges in Speciation Measurement and Microkinetic Modeling for Gas-Solid Heterogeneous Catalysis.

Microkinetic modeling of heterogeneous catalysis serves as an efficient tool bridging atom-scale first-principles calculations and macroscale industrial reactor simulations. Fundamental understanding of the microkinetic mechanism relies on a combination of experimental and theoretical studies. This Perspective presents an overview of the latest progress of experimental and microkinetic modeling approaches applied to gas-solid catalytic kinetics.

Design, Synthesis, and Biological Activity Evaluation of 5-Aryl-cyclopenta[]pyridine Derivatives.

Taking the natural product cerbinal as the lead compound, 30 novel 5-aryl-cyclopenta[]pyridine derivatives were designed and synthesized based on the previous bioactivity studies of the cyclopenta[]pyridines. The modification of the position-5 of compound was achieved by amination, bromination, and cross coupling using cerbinal as the raw material. The results of the bioactivity tests demonstrated that partial compounds exhibited superior activity against plant viruses compared to compound .

Elucidating Binding Selectivity in Cyclin-Dependent Kinases 4, 6, and 9: Development of Highly Potent and Selective CDK4/9 Inhibitors.

CDK4/6 inhibitors are effective in treating HR/HER2 breast cancer but face limitations due to therapeutic resistance and hematological toxicity, particularly from strong CDK6 inhibition. To address these challenges, designing selective inhibitors targeting specific cyclin-dependent kinases (CDK) members could offer clinical advantages and broaden CDK inhibitor indications. However, the highly conserved binding pockets of CDKs complicate selective targeting.

Feruloylacetone and Its Analog Demethoxyferuloylacetone Mitigate Obesity-Related Muscle Atrophy and Insulin Resistance in Mice.

Obesity-induced muscle alterations, such as inflammation, metabolic dysregulation, and myosteatosis, lead to a decline in muscle mass and function, often resulting in sarcopenic obesity. Currently, there are no definitive treatments for sarcopenic obesity beyond lifestyle changes and dietary supplementation. Feruloylacetone (FER), a thermal degradation product of curcumin, and its analog demethoxyferuloylacetone (DFER), derived from the thermal degradation of bisdemethoxycurcumin, have shown potential antiobesity effects in previous studies.

Integration of DNA-Decorated Hapten in Emergency Immunoassays for Antibody and Small-Molecule Detection: A Review.

DNA-decorated hapten (DDH)-based immunoassays have emerged, demonstrating supreme advantages in sensing applications because of their excellent sensitivity, specificity, and reliability. DDH combines both a recognition element (hapten) and a signal transduction element (DNA portion) with its highly programmable DNA structure enabling the trigger of signal transduction following a recognition event, thereby introducing a novel signal transduction mechanism to immunoassays. In this review, we provide a critical overview of recent research in the DDH-based immunoassays, which are designed to detect specific small molecules and antibodies.

Auto-RapTAC: A Versatile and Sustainable Platform for the Automated Rapid Synthesis and Evaluation of PROTAC.

The tedious synthesis and limited throughput biological evaluation remain a great challenge for discovering new proteolysis targeting chimera (PROTAC). To rapidly identify potential PROTAC lead compounds, we report a platform named Auto-RapTAC. Based on the modular characteristic of the PROTAC molecule, a streamlined workflow that integrates lab automation with "click chemistry" joint building-block libraries was constructed.

Electrochemical Three-Component C-H Functionalization of Indoles with Sodium Bisulfite and Alcohols to Access Indole-Containing Sulfonate Esters.

Herein, an efficient electrochemical three-component C-H functionalization of indoles with sodium bisulfite and alcohols is described, providing a sustainable and convenient synthetic route for the construction of structurally valuable indole-containing sulfonate esters in moderate to good yields. This protocol proceeds in an undivided cell without any metal catalysts or oxidants, features a broad substrate scope, and has an excellent functional group tolerance. Preliminary mechanistic studies suggest that a radical-radical pathway may be involved in this three-component reaction system.

End-Point Affinity Estimation of Galectin Ligands by Classical and Semiempirical Quantum Mechanical Potentials.

The use of quantum mechanical potentials in protein-ligand affinity prediction is becoming increasingly feasible with growing computational power. To move forward, validation of such potentials on real-world challenges is necessary. To this end, we have collated an extensive set of over a thousand galectin inhibitors with known affinities and docked them into galectin-3.

Short-Chain Chlorinated Paraffins May Induce Ovarian Damage in Mice via AIM2- and NLRP12-PANoptosome.

Humans may intake 0.02 mg/kg/day of short-chain chlorinated paraffins (SCCPs), and no study is available on mammalian ovarian damage caused by low-level SCCPs. In this study, four groups of 5-week-old female Institute of Cancer Research (ICR) mice were orally administered 0, 0.

Evolution of Two-Dimensional Perovskite Films Under Atmospheric Exposure and Its Impact on Photovoltaic Performance.

Two-dimensional (2D) Ruddlesden-Popper perovskites (RPPs) have garnered significant attention due to their enhanced stability compared with their three-dimensional counterparts. However, the power conversion efficiency (PCE) of 2D perovskite solar cells (2D-PSCs) remains lower than that of 3D-PSCs. Understanding the microstructural evolution of 2D perovskite films during fabrication is essential for improving their performance.

Hexafluoropropylene Oxide Trimer Acid Is an Unsafe Substitute to Perfluorooctanoic Acid Due to Its Remarkable Liver Accumulation in Mice Disclosed by Comprehensive Toxicokinetic Models.

Hexafluoropropylene oxide trimer acid (HFPO-TA, CF(CFOCF(CF))COOH) is widely used as an alternative to perfluorooctanoic acid (PFOA), but whether it is a safe alternative requires further evaluation. In this study, male mice were exposed to three dosages (0.56, 2.

PbSiOCl and PbCaSiO: Two Ultraviolet Nonlinear Optical Materials Exhibit a Moderate Second Harmonic Generation Response.

Finding novel efficient nonlinear optical materials with large second-order nonlinearity for the UV spectral range remains a formidable challenge, especially for silicate systems. Using a high-temperature solid reaction in a tight vacuum environment, two ultraviolet nonlinear optical materials with a moderate second harmonic generation (SHG) response have been created: PbSiOC and PbCaSiO. The SHG values they computed are roughly 2.

Biobased Polyesters with Ultrahigh UV Shielding and Water Degradation Derived from Multifunctional Tetracyclic Diesters.

The development of biobased polyesters with the combination of high UV shielding and degradability is a significant challenge. Herein, three 4-membered cyclic monomers containing two pyrrolidone and two furan rings were prepared by the aza-Michael addition of biobased bifuran diamine and dimethyl itaconate (DMI). They were available in melt polycondensation reactions with various diols to synthesize biobased polyesters.

Imidazole-Functionalized Zn-MOFs for One-Step CH Purification from CH/CH/CH Ternary Mixture.

The discovery of new structures is very important for metal-organic framework (MOF) adsorbents and their application in gas separation, where the design of ligands and the selection of metal ions play a decisive role. Herein, we synthesized two isoreticular Zn-MOFs, UPC-250 and UPC-251, composed of imidazole-based tricarboxylic acid ligands and binuclear zinc clusters. The pore environment was regulated via modifying fluorine atoms at different positions of ligands, and one-step purification of ethylene from acetylene/ethylene/ethane ternary mixture was realized in UPC-251.

Short-Time Preamplification-Assisted One-Pot CRISPR Nucleic Acid Detection Method with Portable Self-Heating Equipment for Point-of-Care Diagnosis.

Infectious diseases, especially respiratory infections, have been significant threats to human health. Therefore, it is essential to develop rapid, portable, and highly sensitive diagnostic methods for their control. Herein, a short-time preamplified, one-pot clustered regularly interspaced short palindromic repeats (CRISPR) nucleic acid detection method (SPOC) is developed by combining the rapid recombinase polymerase amplification (RPA) with CRISPR-Cas12a to reduce the mutual interference and achieve facile and rapid molecular diagnosis.

Design Principles for Gradient Porous Carbon on Aqueous Zinc-Ion Hybrid Capacitors: A Combined Molecular Dynamic and Machine Learning Study.

Gradient porous carbon has become a potential electrode material for energy storage devices, including the aqueous zinc-ion hybrid capacitor (ZIHC). Compared with the sufficient studies on the fabrication of ZIHCs with high electrochemical performance, there is still lack of in-depth understanding of the underlying mechanisms of gradient porous structure for energy storage, especially the synergistic effect of ultramicropores (<1 nm) and micropores (1-2 nm). Here, we report a design principle for the gradient porous carbon structure used for ZIHC based on the data-mining machine learning (ML) method.

Tracking the Geometric and Positional Isomerization of Lipid C═C Bonds in the Bacterial Stress Responses by Mass Spectrometry.

The position and configuration of the C═C bond have a significant impact on the spatial conformation of unsaturated lipids, which subsequently affects their biological functions. Double bond isomerization of lipids is an important mechanism of bacterial stress response, but its in-depth mechanistic study still lacks effective analytical tools. Here, we developed a visible-light-activated dual-pathway reaction system that enables simultaneous [2 + 2] cycloaddition and catalytic - isomerization of the C═C bond of unsaturated lipids via directly excited anthraquinone radicals.

A Stable Solid-Electrolyte Interphase Constructed by a Nucleophilic Molecule Additive for the Zn Anode with High Utilization and Efficiency.

The solid-electrolyte interphase (SEI) strongly determines the stability and reversibility of aqueous Zn-ion batteries (AZIBs). In traditional electrolytes, the nonuniform SEI layer induced by severe parasitic reactions, such as the hydrogen evolution reaction (HER), will exacerbate the side reactions on Zn anodes, thus leading to low zinc utilization ratios (ZURs). Herein, we propose to use methoxy ethylamine (MOEA) as a nucleophilic additive, which has a stronger nucleophilic characteristic than water, with the advantage of an abundance of nucleophilic atoms.

High-Strength Anisotropic Fluorescent Hydrogel Based on Solvent Exchange for Patterning.

Aggregation-induced emission (AIE)-active fluorescent hydrogel materials have found extensive applications in soft robotics, wearable electronics, information encryption, and biomedicine. Nevertheless, it continues to be difficult to create hydrogels that are both highly luminescent and possess strong mechanical capabilities. This study introduces a combined approach of prestretching and solvent exchange to create anisotropic luminous hydrogels made of poly(methacrylic acid-methacrylamide).

Coordination Equilibrium-Assisted Coprecipitation Synthesis of Atomically Dispersed 3d Metal Catalysts.

As a frontier of heterogeneous catalysis, single-atom catalysts (SACs) have been extensively studied fundamentally. One obstacle that limits the industrial application of SACs is the lack of a synthetic method that can prepare the catalysts on a large scale. Wet-chemistry methods that are conventionally used to prepare nanoparticle-based industrial catalysts might be a solution.

Recognition and Comprehensive Quantitation of Stachydrine Analogues in Based on HILIC-QTOF MS and qHNMR.

Quaternary ammonium salts (QAs) are a class of highly active compounds widely used in medicine and agriculture. However, many QAs lack a conjugated system, making their recognition and quantitation challenging. Stachydrine is a representative unconjugated QA with a high content in Houtt.

Selenocysteine-Activatable Near-Infrared Fluorescent Probe for Screening of Anti-inflammatory Components in Herbs.

Inflammation, a central process in numerous diseases, plays a crucial role in hepatic disorders, arthritis, cardiac conditions, and neurodegenerative ailments. Given the lack of effective anti-inflammatory drugs, it is imperative to assess inflammation severity and explore novel therapeutics. Selenocysteine (Sec), a key mediator of selenium's biological function, is closely involved in anti-inflammatory responses.