Multi-omics driven paradigm for construction of traditional Chinese Medicine Zheng (syndrome) diagnosis and treatment model, taking Shi Zheng (syndrome of dampness) as an example.

Background: Shi Zheng (SZ, syndrome of dampness) is a major syndrome type in traditional Chinese Medicine (TCM), the ambiguity of its pathomechanism and the lack of blood diagnostic indicators have limited the understanding of the development of SZ.

Purpose: To explore the pathological mechanism of SZ and establish a symptom-centered diagnosis and treatment model.

Methods: We recruited 250 participants, including healthy individuals and patients diagnosed with SZ.

NIR-triggering cobalt single-atom enzyme switches off-to-on for boosting the interactive dynamic effects of multimodal phototherapy.

Noninvasive phototherapy with functional preservation is considered to be a promising cancer therapeutic method. However, the clinical application of tumor phototherapy is severely restrained by the lack of appropriate multimodal phototherapy agents exhibiting an ideal tissue penetration depth to maximize the antitumor efficiency as well as to maintain important tissue functions. Herein, an innovative near-infrared ray (NIR)-triggered photodynamic-photocatalytic-photothermal therapy (PDT-PCT-PTT) agent based on an atomically dispersed cobalt single-atom enzyme (Co-SAE) anchored on hollow N-doped carbon sphere (HNCS) has been strategically developed.

Fingerprint Profile Analysis of Polypeptide Based on UHPLC-MS and Its Application.

As a medicinal and food homologous substance, is renowned for its potential health benefits, including anti-tumor effects, immune system support, and anti-inflammatory properties. polypeptides have demonstrated significant biological activity, including the regulation of coagulation and lipid metabolism. However, the peptide composition of requires further clarification to facilitate quality control improvements and a deeper investigation into its pharmacological effects.

Multimodal lung cancer theranostics via manganese phosphate/quercetin particle.

The diagnosis and treatment of non-small cell lung cancer in clinical settings face serious challenges, particularly due to the lack of integration between the two processes, which limit real-time adjustments in treatment plans based on the patient's condition and drive-up treatment costs. Here, we present a multifunctional pH-sensitive core-shell nanoparticle containing quercetin (QCT), termed AHA@MnP/QCT NPs, designed for the simultaneous diagnosis and treatment of non-small cell lung cancer. Mechanistic studies indicated that QCT and Mn exhibited excellent peroxidase-like (POD-like) activity, catalysing the conversion of endogenous hydrogen peroxide into highly toxic hydroxyl radicals through a Fenton-like reaction, depleting glutathione (GSH), promoting reactive oxygen species (ROS) generation in mitochondria and endoplasmic reticulum, and inducing ferroptosis.

Accelerated Design of Dual-Metal-Site Catalysts via Machine-Learning Prediction.

Dual-metal site catalysts (DMSCs) supported on nitrogen-doped graphene have shown great potential in heterogeneous catalysis due to their unique properties and enhanced efficiency. However, the precise control and stabilization of metal dimers, particularly in oxygen activation reactions, present significant challenges in practical applications. In this study, we integrate high-throughput density functional theory calculations with machine learning techniques to predict and optimize the catalytic properties of DMSCs.

Integrated metabolomics and mass spectrometry imaging analysis reveal the efficacy and mechanism of Huangkui capsule on type 2 diabetic nephropathy.

Background: Huangkui capsule (HKC), a Chinese patent medicine, is clinically used for treating diabetic nephropathy. However, the core disease-specific biomarkers and targets of type 2 diabetic nephropathy (T2DN) and the therapeutic mechanism of HKC are not fully elucidated.

Purpose: This study aimed to investigate the therapeutic effects and underlying molecular mechanisms of HKC for T2DN.

Monitoring C-C coupling in catalytic reactions via machine-learned infrared spectroscopy.

Tracking atomic structural evolution along chemical transformation pathways is essential for optimizing chemical transitions and enhancing control. However, molecule-level knowledge of structural rearrangements during chemical processes remains a great challenge. Here, we couple infrared spectroscopy as a non-invasive method to probe molecular transformations, with a machine-learned protocol to immediately map the spectroscopic fingerprints to atomistic structures.

Extraction, structural characteristics, bioactivities and application of polysaccharides from Acanthopanax senticosus (Rupr. Maxim.) harms: A review.

Acanthopanax senticosus, a celebrated herbal remedy, has been cherished in China for its health-promoting properties for over two millennia. The plant's key bioactive constituent, A. senticosus polysaccharide (ASPS), has recently attracted significant interest due to its exceptional biological activities.

Rhein: An Updated Review Concerning Its Biological Activity, Pharmacokinetics, Structure Optimization, and Future Pharmaceutical Applications.

Rhein is a natural active ingredient in traditional Chinese medicine that has attracted much attention due to its wide range of pharmacological activities. However, its clinical application is limited by low water solubility, poor oral absorption, and potential toxicity to the liver and kidneys. Recently, advanced extraction and synthesis techniques have made it possible to develop derivatives of rhein, which have better pharmacological properties and lower toxicity.

A glucan from the stems of Acanthopanax senticosus: Structure and anticolorectal cancer activity.

ASPN-1, a novel glucan with a molecular weight of 33.31 kDa, was purified from Acanthopanax senticosus stems, characterized in structure, and evaluated for antitumor potential. The analysis of the structure of ASPN-1 revealed that it consisted of a backbone constructed from →4)-α-D-Glcp-(1 → glucosyls, branched at the O-3 position by an α-D-Glcp-(1 → residue and at the O-6 positions with α-D-Glcp-(1 → 6)-α-D-Glcp-(1 → and/or α-D-Glcp-(1 → residues.

Exploring the molecular mechanisms for renoprotective effects of Huangkui capsule on diabetic nephropathy mice by comprehensive serum metabolomics analysis.

Ethnopharmacological Relevance: Huangkui capsule (HKC), a patent traditional Chinese medicine, has shown significant efficacy in managing chronic kidney disease (CKD), particularly diabetic nephropathy (DN). Previous studies have shown that HKC can alleviate kidney damage in DN. However, the exact mechanisms through which it exerts its effects remain unclear.

Rapid Characterization of the Constituents in Shenhua Tablets by UHPLC-Q-Orbitrap-LTQ-MS.

Shenhua Tablet (SHT), a Chinese herbal medicine comprising seven crude drugs, is utilized in the treatment of immunoglobulin A nephropathy (IgAN). However, due to its complex composition, the chemical constituents of SHT in vitro are still incompletely known, which has restricted the comprehensive development and utilization of SHT in clinical practice. In the present study based on ultra-high performance liquid chromatography-quadrupole-orbitrap-linear ion trap mass spectrometry (UHPLC-Q-Orbitrap-LTQ-MS) in data dependent acquisition mode, combining the accurate mass and structural information, the profiling and characterization of chemical constituents in SHT were carried out.

Efficient fabrication of chitin-based films with high UV-blocking and fluorescence via Hantzsch reaction.

As the second most abundant polysaccharide on earth, chitin-based films are promising packaging and biomedical materials. However, the lack of special function (especially UV-blocking properties and fluorescence) usually restricts their further and high-value applications. Herein, high UV-blocking and fluorescence chitin-based films were fabricated via surface modification using acetoacetation and the Hantzsch reaction.

Axial Chlorination Engineering of Single-Atom Nanozyme: Fe-NCl Catalytic Sites for Efficient Peroxidase-Mimicking.

Developing axial coordination engineering of single-atom nanozymes (SAzymes), directly regulating the axial coordination environment of the catalytic site, and optimizing the axial adsorption are meaningful and challenging for boosting the enzyme-like activities. Herein, the axial chlorination engineering of SAzyme with the Fe-NCl catalytic site (Fe-NCl/CNCl) was first proposed, exhibiting superior peroxidase-like activity compared to the traditional Fe-N/CN SAzyme with Fe-N site. The maximal reaction velocity (4.

Telomere-to-telomere genome assembly of a male goat reveals variants associated with cashmere traits.

A complete goat (Capra hircus) reference genome enhances analyses of genetic variation, thus providing insights into domestication and selection in goats and related species. Here, we assemble a telomere-to-telomere (T2T) gap-free genome (2.86 Gb) from a cashmere goat (T2T-goat1.

Rapid Characterization of the Constituents in Classic Chinese Medicine Formula Guyinjian Using Ultra-High-Performance Liquid Chromatography With Quadrupole Time-of-Flight Mass Spectrometry.

Guyinjian (GYJ) is a classic traditional Chinese medicine formula for the treatment of polycystic ovary syndrome, ovulation disorders, immuno-sterility, oligomenorrhea with kidney deficiency, and so forth. Due to the unclear chemical components of GYJ, the elucidation of the pharmacological mechanism, and the comprehensive development and utilization of GYJ in clinical is being restricted. In this study, ultra-high-performance liquid chromatography with quadrupole time-of-flight-tandem mass spectrometry combined with the Progenesis QI platform and using reference standards, online and self-built databases matching, fragmentation rules analysis of mass spectrometry peaks, a total of 235 compounds were preliminarily characterized, including 69 flavonoids, 65 terpenoids, 34 phenylpropanoids, 22 saccharides, sugar esters, and glycosides, 15 organic acids, and 30 others.

Synergistic effect of multi-metal site provided by Ni-N, adjacent single metal atom, and Fe nanoparticle to boost CO activation and reduction.

Single transition metal (TM) atom embedded in nitrogen-doped carbon materials with M-N-C configuration have emerged as a promising class of electrocatalysts for electrochemical CO reduction (CORR). However, at high TM atom densities, a comprehensive understanding of the active site structure and reaction mechanisms remains a significant challenge, yet it is crucial for enhancing CORR performance. In this work, we use first-principles calculations to investigate the electrocatalytic performance of Ni-N sites for CO2 reduction to CO, co-assisted by neighboring TM atoms and a Fe nanoparticle.

Photocatalytic Semi-Hydrogenation of Acetylene to Polymer-Grade Ethylene with Molecular and Metal-Organic Framework Cobaloximes.

The semi-hydrogenation of acetylene in ethylene-rich gas streams is a high-priority industrial chemical reaction for producing polymer-grade ethylene. Traditional thermocatalytic routes for acetylene reduction to ethylene, despite progress, still require high temperatures and high H consumption, possess relatively low selectivity, and use a noble metal catalyst. Light-powered strategies are starting to emerge, given that they have the potential to use directly the abundant and sustainable solar irradiation, but are ineffective.

Integrated metabolomics and lipidomics investigation of the mechanism of Danggui Sini Decoction on improving lipid homeostasis in primary dysmenorrhea.

Background: Danggui Sini Decoction (DGSND) is a classic prescription for treating primary dysmenorrhea (PD), while, the ameliorating effects of DGSND on PD and its mechanisms are not yet fully understood.

Purpose: The present study is devoted to investigate the protective effect of DGSND against PD and the possible mechanism from the perspective of metabolomics as well as lipidomics.

Methods: DGSND was characterized by UPLC-Q-TOF/MS.

Rigidly Axial O Coordination-Induced Spin Polarization on Single Ni-N-C Site by MXene Coupling for Boosting Electrochemical CO Reduction to CO.

Regulating the spin states in transition-metal (TM)-based single-atom catalysts (SACs), such as the TM-NC configurations, is crucial for improving the catalytic activity. However, the role of spin in single Ni atoms facilitating the electrochemical CO reduction reaction (CORR) has been largely overlooked. Using first-principles simulations, we investigated the electrocatalytic performance of Ni-N-C SACs vertically stacked on the O-terminated MXene nanosheets for the CORR.

Oral microbiome and its relationship with oral cancer.

As the initial point for digestion, the balance of oral microorganisms plays an important role in maintaining local and systemic health. Oral dysbiosis, or an imbalance in the oral microbial community, may lead to the onset of various diseases. The presence or abnormal increase of microbes in the oral cavity has attracted significant attention due to its complicated relationship with oral cancer.

Huangqi Guizhi Wuwu Decoction Improves Inflammatory Factor Levels in Chemotherapy-induced Peripheral Neuropathy by Regulating the Arachidonic Acid Metabolic Pathway.

Background: Chemotherapy-induced Peripheral Neuropathy (CIPN) is a common complication that arises from the use of anticancer drugs. Huangqi Guizhi Wuwu Decoction (HGWWD) is an effective classic prescription for treating CIPN; however, the mechanism of the activity is not entirely understood.

Objective: This study aimed to investigate the remedial effects and mechanisms of HGWWD on CIPN.