Advanced high-resolution chromatographic strategies for efficient isolation of natural products from complex biological matrices: from metabolite profiling to pure chemical entities.

The isolation of pure compounds from extracts represents a key step common to all investigations of natural product (NP) research. Isolation methods have gone through a remarkable evolution. Current approaches combine powerful metabolite profiling methods for compounds annotation with omics mining results and/or bioassay for bioactive NPs/biomarkers priorisation.

Two Chroman Type Polyketides From Trichoderma sp. YUD24002 Associated With Aconitum.

Two previously undescribed chroman-type polyketides, trichrontides A (1) and B (2), along with four known homologous compounds, were isolated from the endophytic fungus Trichoderma sp. YUD24002, which was associated with Aconitum forrestii Stapf. Their structures were confirmed using NMR and HR-ESI-MS techniques.

Activation of Methyltrioxorhenium for Olefin Metathesis by a Frustrated Lewis Pair.

Methyltrioxorhenium (MTO) supported on AlO or SiO-AlO is an efficient heterogeneous alkene metathesis catalyst that works at room temperature and tolerates various functional groups. Surface studies found that MTO interacts with highly Lewis-acidic aluminum centers and that its methyl group is probably C-H activated resulting in rhenium-methylidene species. The exact structure of the catalyst resting state and the active species is subject to scientific debate.

Structure and Stabilities of Solution and Gas Phase Protein Complexes.

Collision-induced unfolding (CIU) has provided new levels of understanding of the stabilities and structure(s) for gas phase protein and protein complex ions formed by electrospray ionization (ESI). Variable-temperature (vT-ESI) data provide complementary information about temperature-induced folding/unfolding (TIU) reactions of solution phase ions. Results obtained by using CIU and TIU provide complementary information about stabilities of gas phase versus solution phase ions.

Accelerating Parkinson's Disease drug development with federated learning approaches.

Parkinson's Disease is a progressive neurodegenerative disorder afflicting almost 12 million people. Increased understanding of its complex and heterogenous disease pathology, etiology and symptom manifestations has resulted in the need to design, capture and interrogate substantial clinical datasets. Herein we advocate how advances in the deployment of artificial intelligence models for Federated Data Analysis and Federated Learning can help spearhead coordinated and sustainable approaches to address this grand challenge.

Assessment of trunk and shoulder muscle asymmetries during two-armed kettlebell swings: implications for training optimization and injury prevention.

Introduction: Greater side-to-side asymmetry can indicate impaired skill, reduced power production, and an increased risk of injury. Bilateral differences highlight the presence of asymmetries that should be assessed to understand their impact on both injury risk and performance enhancement.

Objective: This study aimed to assessment muscle activation and bilateral asymmetry in major trunk and shoulder muscles during a two-armed kettlebell swing exercise.

Methylphenidate in COVID-19 Related Brain Fog: A Case Series.

Limited literature exists regarding specific pharmacological treatments for COVID-19-associated brain fog (BF) syndrome. One previous study using bupropion lacked objectivity. In this multiple baseline case series study, methylphenidate was used in treating post-COVID BF syndrome.

Exploring Bleomycin vs. Setrol Injections in Adults.

This retrospective study aimed to assess the efficacy of bleomycin and sodium tetradecyl sulphate (STS) as sclerotherapeutic treatment modalities for low-flow vascular and lymphatic malformations. A total of 30 patients in age group of 9-60 years with vascular and lymphatic anomalies in the head and neck region were included in our study and divided into two groups of 15 each. Patients in group 1 received bleomycin injections, while group 2 received STS for treatment.

Structural Elucidation and NMR Spectral Assignments of New Diphenyl Ether Derivatives From Liuweizhiji Gegen-Sangshen Oral Liquid.

Chemical investigation of the Liuweizhiji Gegen-Sangshen oral liquid afforded one new diphenyl ether derivative (1), together with one known compound (2). Their structures were established by 1D and 2D NMR, and HR-ESI-MS spectroscopic analysis and the absolute configuration of 1 was confirmed by ECD calculation. Compounds 1 and 2 were evaluated for the cytotoxic activities, and compounds 1 and 2 showed weak cytotoxic activities towards HepG2 human liver cancer cells, with IC values of 97.

Lignocellulose biodegradation to humic substances in cow manure-straw composting: Characterization of dissolved organic matter and microbial community succession.

Composting, a sustainable practice, facilitates the biodegradation of organic waste, notably lignocellulosic biomass, into value-added humic substances. Despite its potential, the application of electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) to characterize dissolved organic matter (DOM) for assessing the changes in maturity during cow manure-straw composting is underexplored. Furthermore, the link between these changes, microbial community succession, and the biochemical pathways of humus formation is seldom investigated.

Multi-omics joint analysis reveals the mechanism underlying Chinese herbal Yougui Pill in the treatment of knee osteoarthritis.

Ethnopharmacological Relevance: Yougui Pill (YGP), originating from Jingyue Quanshu, comprises 10 traditional Chinese medicines (TCMs). This classic prescription is renowned for its ability to tonify the kidney, warm the kidney, promote yang, warm the interior, and dispel cold. YGP has proven effective in treating degenerative knee arthritis, osteoporosis, delayed fracture healing, and other orthopedic conditions, making it a widely used clinical prescription for knee osteoarthritis (KOA).

Determination of Binding Constants and Gas Phase Stabilities of Artificial Carbohydrate Receptor Complexes Using Electrospray Mass Spectrometry.

In recent years, binding studies to determine complex stabilities and selectivities of artificial carbohydrate receptors with glycosides have been mainly performed using H NMR, isothermal titration calorimetry (ITC), and other spectroscopic titration techniques. Native electrospray ionization (ESI) mass spectrometry is used only to verify the complex stoichiometries, although determination of dissociation constants is also possible. Herein, the binding of a 1,3,5-substituted 2,4,6-triethylbenzene-based receptor (CHR) to four alkyl-β-d-glucosides with varying alkyl side chain lengths (methyl (MGP), hexyl (HGP), octyl (OGP), and dodecyl (DGP)-β-d-glucosides), which was analyzed by ESI Fourier transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS) under optimized spray conditions in both ion modes, is reported.

Sweet pepper extract reduces fat storage in by SREBP-SCD axis based on multiomics analysis.

Sweet pepper, a globally commercialized horticultural crop, has been demonstrated to impede fat accumulation, but its mechanism remains incompletely understood. This study was designed to explore the potential mechanism of sweet pepper in reducing fat accumulation in through RNA-seq and metabolome analysis. A total of 22 metabolites were identified from sweet pepper by UHPLC-ESI-TOF-MS analysis.

Identification of polyphenol composition in grape ( cv. Bidaneh Sefid) stem using green extraction methods and LC-MS/MS analysis.

The utilization of grape stems, a by-product of the grape processing industry, as a source of valuable bioactive compounds, particularly polyphenols, has gained attention in recent years. This study aimed to investigate different eco-friendly extraction methods for obtaining polyphenols from grape ( cv. Bidaneh Sefid) stems, focusing on green solvents and innovative techniques.

Deciphering the role of neutral diruthenium complexes in protein binding.

The charge of paddlewheel diruthenium complexes has a major role in defining their interaction with proteins: negatively charged complexes bind proteins non-covalently, while cationic complexes form adducts where the Ru core binds to Asp side chains at the equatorial sites, or to the main chain carbonyl groups or the side chains of His, Arg or Lys residues at the axial sites. Here we study the interactions of the neutral compound [Ru(D-p-FPhF)(OCCH)(OCO)]·3HO (D-p-FPhF = N,N'-bis(4-fluorophenyl)formamidinate), a very rare example of a paddlewheel diruthenium compound with three different equatorial ligands, with the model protein bovine pancreatic ribonuclease (RNase A) by means of UV-visible absorption spectroscopy, circular dichroism (CD), electrospray ionization mass spectrometry (ESI-MS) and X-ray crystallography. It is the first attempt to investigate the binding of a neutral diruthenium compound to a protein.

Engineering of Saccharomyces cerevisiae as a platform strain for microbial production of sphingosine-1-phosphate.

Background: Sphingosine-1-phosphate (S1P) is a multifunctional sphingolipid that has been implicated in regulating cellular activities in mammalian cells. Due to its therapeutic potential, there is a growing interest in developing efficient methods for S1P production. To date, the production of S1P has been achieved through chemical synthesis or blood extraction, but these processes have limitations such as complexity and cost.

Parallel Analyses by Mass Spectrometry (MS) and Reverse Phase Protein Array (RPPA) Reveal Complementary Proteomic Profiles in Triple-Negative Breast Cancer (TNBC) Patient Tissues and Cell Cultures.

High-plex proteomic technologies have made substantial contributions to mechanism studies and biomarker discovery in complex diseases, particularly cancer. Despite technological advancements, inherent limitations in individual proteomic approaches persist, impeding the achievement of comprehensive quantitative insights into the proteome. In this study, we employed two widely used proteomic technologies, mass spectrometry (MS) and reverse phase protein array (RPPA) to analyze identical samples, aiming to systematically assess the outcomes and performance of the different technologies.