Monitoring the Chemical Transformation and Detoxification Process of Herbs during Processing by Maximum-Quantum Filter NMR Spectroscopy.

Processing is an ancient technique to make Traditional Chinese Medicine (TCM) more effective or less toxic; however, the traditional process control for processing is empirical, and it is highly desired to monitor chemical markers that are pharmacologically or toxicologically relevant to evaluate such processing practice, but this task is challenging due to the complexity of natural products. The processing of herbs is a classic case in TCM practice. Traditional processing operations, such as boiling or steaming, are needed to detoxify the herbs before their medicinal use, so holistic analysis of toxic substances is meaningful for safety assessment of the processed herbs.

Macrophage Signaling Pathways in Health and Disease: From Bench to Bedside Applications.

Macrophages exhibit remarkable functional plasticity by dynamically polarizing into proinflammatory or antiinflammatory subsets in response to microenvironmental cues. This duality underpins their pivotal roles in immune defense, tissue homeostasis, and disease progression; however, the molecular mechanisms governing their polarization and crosstalk across various pathologies remain incompletely defined. This review systematically delineates macrophage biology, emphasizing the interplay between subset-specific signaling networks and their context-dependent activation in both health and disease.

Screening of ligands for carbonic anhydrase II from traditional Chinese medicine Kansui by combination of in silico target prediction, surface plasmon resonance, and UPLC-HR-MS/MS.

Screening of ligands from natural products, especially traditional herbs, has always been an important pathway for drug discovery. In the current work, we present a strategy for the screening of active substances from TCM by combination of in silico target prediction, surface plasmon resonance (SPR), and UPLC-HR-MS/MS, using Kansui as an illustration. In the first, in silico target prediction of diterpenoids from Kansui was performed, aiming to improve the success rate of screening.

Structure Characterization and Products Control of Technical Chlorinated Paraffins by Direct Injection Mass Spectrometry With Data Deconvolution and H NMR With Chemometrics Tools.

The diverse industrial use of chlorinated paraffins (CPs) have led to their environmental dispersion, and special attention has been paid to their ecotoxicology. Among them, short-chain chlorinated paraffins (SCCPs) have been listed as potential persistent organic pollutants (POPs). However, currently, technical CPs produced by manufacturers are usually labeled by their chlorination degree, but such structural label is not enough to reflect CPs' environmental fate and toxicity.

Multi-omics analysis identified the GmUGT88A1 gene, which coordinately regulates soybean resistance to cyst nematode and isoflavone content.

Soybean cyst nematode (SCN, Heterodera glycines) is a major pathogen harmful to soybean all over the world, causing huge yield loss every year. Soybean resistance to SCN is a complex quantitative trait controlled by a small number of major genes (rhg1 and Rhg4) and multiple micro-effect genes. Therefore, the continuous identification of new resistant lines and genes is needed for the sustainable development of global soybean production.

Molecular Design Engineering Regulates the Ground-State Passivation Ability of Benzophenone Derivatives in Perovskite Solar Cells.

Intramolecular hydrogen bonding (H-bonding) involved in the excited-state proton transfer (ESPT) process results in benzophenone derivatives (BPDs) with an excellent ability to passivate defects. However, the BPDs are in a continuing dynamic transition process between the ground state and the excited state under light radiation conditions. The ground-state BPDs may lose their ability to passivate defects, resulting in an increased defect density of the perovskite.

Advancing Solid Oxide Fuel Cell Performance: Enhanced Electrochemical Properties of PrCaBaFeO Nanofiber Cathodes via Ca Doping.

The double perovskite oxide PrBaFeO has great potential as a cathode material for solid oxide fuel cells (SOFCs). However, the electrochemical characteristics of Fe-based double perovskites are relatively inferior. To improve its electrochemical performance, Ca is investigated to partially replace Pr, forming PrCaBaFeO (PCBF, = 0.

Building a Charge Transfer Bridge between g-CN and Perovskite with Molecular Engineering to Achieve Efficient Perovskite Solar Cells.

Effective defect passivation and efficient charge transfer within polycrystalline perovskite grains and corresponding boundaries are necessary to achieve highly efficient perovskite solar cells (PSCs). Herein, focusing on the boundary location of g-CN during the crystallization modulation on perovskite, molecular engineering of 4-carboxyl-3-fluorophenylboronic acid (BF) on g-CN was designed to obtain a novel additive named BFCN. With the help of the strong bonding ability of BF with both g-CN and perovskite and favorable intramolecular charge transfer within BFCN, not only has the crystal quality of perovskite films been improved due to the effective defects passivation, but the charge transfer has also been greatly accelerated due to the formation of additional charge transfer channels on the grain boundaries.

Review on NMR as a tool to analyse natural products extract directly: Molecular structure elucidation and biological activity analysis.

Introduction: Natural products, the small organic molecules produced by plants, microbes and invertebrates, often present in the form of a mixture, this leads to the structural characterisation of natural extracts often requiring time-consuming multistep purification procedures. Nuclear magnetic resonance (NMR) technology is traditionally utilised as a tool for the structural elucidation of pure compounds. Contemporarily, an up-to-date trend in the application of NMR in natural product research is shifting to the direct NMR analysis of crude mixtures, to obtain molecular structure and biological activity information without performing cumbersome separation.

Identification of QTL, QTL-by-environment interactions, and their candidate genes for resistance HG Type 0 and HG Type 1.2.3.5.7 in soybean using 3VmrMLM.

Introduction: Soybean cyst nematode (SCN, Heterodera glycines Ichinohe) is an important disease affecting soybean yield in the world. Potential SCN-related QTLs and QTL-by-environment interactions (QEIs) have been used in SCN-resistant breeding.

Methods: In this study, a compressed variance component mixed model, 3VmrMLM, in genome-wide association studies was used to detect QTLs and QEIs for resistance to SCN HG Type 0 and HG Type 1.

Genome-wide association analysis of resistance to frogeye leaf spot China race 7 in soybean based on high-throughput sequencing.

FLS is a disease that causes severe yield reduction in soybean. In this study, four genes (Glyma.16G176800, Glyma.

Weighted gene co-expression network analysis identifies genes related to HG Type 0 resistance and verification of hub gene .

Introduction: The soybean cyst nematode (SCN) is a major disease in soybean production thatseriously affects soybean yield. At present, there are no studies on weighted geneco-expression network analysis (WGCNA) related to SCN resistance.

Methods: Here, transcriptome data from 36 soybean roots under SCN HG Type 0 (race 3) stresswere used in WGCNA to identify significant modules.

Correction: Regioselective -alkylation of 2-pyridones by TfOH-catalyzed carbenoid insertion.

Correction for 'Regioselective -alkylation of 2-pyridones by TfOH-catalyzed carbenoid insertion' by Zhewei Yan , , 2023, , 106-109, https://doi.org/10.1039/d2cc05676c.

Regioselective -alkylation of 2-pyridones by TfOH-catalyzed carbenoid insertion.

Selective alkylation of 2-pyridone could solve a challenge in chemistry and streamline the synthesis of important molecules. Here we report the regioselective -alkylation of 2-pyridones by TfOH-catalyzed carbenoid insertion. In the catalytic system, alkylation of 2-pyridone was achieved with unprecedented regioselectiviy (>99 : 1).

Detoxification mechanism of vinegar-processed Kansui revealed by systematic phytochemical analysis using ultrahigh-performance liquid chromatography diode array detection tandem mass spectrometry, ultrahigh-performance liquid chromatography high-resolution mass spectrometry and in silico drug target identification.

Rationale: The dried roots of Euphorbia kansui L., known as Kansui, are used to treat ascites and edema in traditional Chinese medicine. However, the toxicity of this herb has seriously restricted its clinical application.

TfOH-catalyzed regioselective -alkylation of indazoles with diazo compounds.

Selective alkylation of indazoles is still a highly challenging topic in chemistry and the synthesis of important molecules. Herein, a novel highly selective -alkylation of indazoles with diazo compounds is described in the presence of TfOH. Unlike the traditional metal- and base-catalysed version, this protocol highlights the regioselectivity of alkylation of indazoles and a metal-free catalysis system, affording -alkylated products in good to excellent yields with high regioselectivity (/ up to 100/0) and excellent functional group tolerance.

Quality control and product differentiation of LMWHs marketed in China using H NMR spectroscopy and chemometric tools.

Low molecular weight heparins (LMWHs) are heterogeneous mixtures of glycosaminoglycan chains composed of mixture of different lengths and substitution patterns. Structural characterization and quality control of LMWHs have always been challenging. The Chinese drug regulatory authorities have been committed to improve the supervision standards of LMWHs to better regulate the quality and safety of LMWHs in current Chinese market.

Identification of glutathione transferase gene associated with partial resistance to Sclerotinia stem rot of soybean using genome-wide association and linkage mapping.

Association and linkage mapping techniques were used to identify and verify single nucleotide polymorphisms (SNPs) associated with Sclerotinia sclerotiorum resistance. A novel resistant gene, GmGST , was cloned and shown to be involved in soybean resistance to SSR. Sclerotinia stem rot (SSR), caused by the fungus Sclerotinia sclerotiorum, is one of the most devastating diseases in soybean (Glycine max (Linn.

Diluted-CdS Quantum Dot-Assisted SnO Electron Transport Layer with Excellent Conductivity and Suitable Band Alignment for High-Performance Planar Perovskite Solar Cells.

An electron transport layer (ETL) with excellent conductivity and suitable band alignment plays a key role in accelerating charge extraction and transfer for achieving highly efficient planar perovskite solar cells (PSCs). Herein, a novel diluted-cadmium sulfide quantum dot (CdS QD)-assisted SnO ETL has been developed with a low-temperature fabrication process. The slight addition of CdS QDs first enhances the crystallinity and flatness of SnO ETLs so that it provides a promising workstation to obtain high-quality perovskite absorption layers.

NMR-based screening for natural product subfraction to precisely identify ligand of target protein.

Introduction: The inherent diversity of natural product extracts has not only made their value for biological activity attractive, but has also presented significant challenges for separation and detection techniques to enable rapid characterisation of the biologically active component present in the complicated mixture.

Objective: Nuclear magnetic resonance (NMR) is routinely valued for its ability to shed light on molecular structure, when NMR is used as a promising tool in drug screening, it can detect and quantify molecular interactions, and at the same time provide detailed structural information with atomic level resolution. Here, we introduced an accurate and efficient strategy for discovering ligands from natural product extracts, by taking the advantage of NMR-based drug screening.

Polyphenols as reactive carbonyl species scavengers-The solution to the current puzzle of polyphenols' health effects.

Evidence from epidemiological analysis confirmed the protective effects of polyphenol-rich foods or beverages from certain chronic diseases, however, a direct antioxidant effect is not fully feasible when considering for the real in vivo behavior of polyphenols. Polyphenols have a limited bioavailability and only low concentrations are present in the systemic circulation compared with other endogenous and exogenous antioxidants, besides, how polyphenol can enter tissue (especially brain) and cells were not answered yet. There is investigation showed that reactive carbonyl species (RCS), which accumulated in circulatory system and tissue, also plays a significant role in the etiology and progression of certain chronic diseases.

CircRNA ACAP2 induces myocardial apoptosis after myocardial infarction by sponging miR-29.

Background: The aim of this study was to investigate the effect of circular RNA circ ACAP2 on apoptotic phenotype of rat cardiomyocytes and its molecular mechanism.

Methods: Left anterior descending ligation was used to establish a rat myocardial infarction (MI) model, and real-time quantitative polymerase chain reaction (RT-qPCR) was used to detect the expression of circ ACAP2 in apoptotic rat cardiomyocytes. The stability of circ ACAP2 was tested by actinomycin D and RNase R.

Inhibition evaluation of gas inhibitors in micron-sized aluminum dust explosion.

The inhibition effects of gas inhibitors (nitrogen, carbon dioxide, and heptafluoropropane) on aluminum dust explosion were investigated experimentally and numerically. The results showed that as the inhibition volume fraction increased, the flame propagation characteristics parameters and explosion severity parameters were inhibited by inert gases accordingly. The inhibition performance of carbon dioxide was superior to that of nitrogen, and the minimum inhibition volume fractions of nitrogen and carbon dioxide were determined.

A NMR-based drug screening strategy for discovering active substances from herbal medicines: Using Radix Polygoni Multiflori as example.

Ethnopharmacological Relevance: Herbal medicines have always been important sources for new drugs. And developing new drugs from traditional herbal medicine is currently still an effective way. However, screening for active substances from herbal medicines extracts has ever been a challenging topic, due to their intrinsic complexity.

Suppression mechanism of Al dust explosion by melamine polyphosphate and melamine cyanurate.

The suppression mechanism of melamine polyphosphate (MPP) and melamine cyanurate (MCA) for Al dust explosions is investigated experimentally and computationally. Results show that depending on the concentration of suppressants, the addition of MCA and MPP promotes or suppresses Al dust explosion. For high additive concentration, large agglomerated residues are generated, and condensed phase residues may contain Al particles, MCA or MPP.