Temperature Induced Unfolding and Compaction of Cytochrome in the Same Aqueous Solutions.

Most conventional methods used to measure protein melting temperatures reflect changes in structure between different conformational states and are typically fit to a two-state model. Population abundances of distinct conformations were measured using variable-temperature electrospray ionization ion mobility mass spectrometry to investigate the thermally induced unfolding of the model protein cytochrome . Nineteen conformers formed at high temperature have elongated structures, consistent with unfolded forms of this protein.

Dissociation of Macromolecules in Laser-Heated Droplets Monitored by CD-MS.

Charge detection mass spectrometry (CD-MS) is used to monitor the dissociation of large (300 kDa to 20 MDa) protein complexes in droplets heated with a 10.6 μm CO laser. In this approach, electrospray ionization (ESI) is used to produce charged droplets containing macromolecular complexes.

Nontargeted Screening Nitrogen-Containing Organic Compounds in Frost and Wet Deposition in Rural Northeast China.

Nitrogen-containing organic compounds (NOCs) in frost serve as a critical pathway for atmospheric nitrogen deposition, significantly impacting the biogeochemical cycles of nitrogen. However, the molecular characteristics of NOCs in frost and their deposition fluxes are scarcely studied. In this work, frost samples, collected in rural Northeast China in the winter of 2023, were analyzed using nontargeted ultrahigh performance liquid chromatography-orbitrap mass spectrometry (UHPLC-Orbitrap MS) to reveal their content in nitrogen-containing organic compounds (NOCs) and explore their wet deposition fluxes.

In-Depth LC-ESI/HRMS-Guided Phytochemical Analysis and Antioxidant Activity Analysis of Eco-Sustainable Extracts of (Carciofo di Paestum PGI) Leaves.

The Italian Carciofo di Paestum () PGI, an artichoke variety from the Campania region, was investigated for its potential to reuse by-products for food supplements. EtOH:HO 50:50 and 75:25 extracts of its leaves were analyzed for phenolic and flavonoid content and antioxidant activity (TEAC: 1.90 and 1.

Phenolic Fractions from Walnut Milk Residue: Antioxidant Activity and Cytotoxic Potential.

Walnut milk residues (WMR) were investigated for the first time through their phenolic characterization including soluble (free, esterified, and etherified) phenolics and those released from their insoluble-bound form (insoluble-bound phenolic hydrolysates, IBPHs) and their antioxidant properties. Free phenolics were recovered and alkaline or acid hydrolysis were used to recover the remaining phenolic fractions. Total phenolic compounds (TPCs) and their antioxidant activity were analyzed by Folin-Ciocalteu, FRAP, and ORAC methods, respectively.

Rapid Screening of Etomidate and Its Analogs in Seized e-Liquids Using Thermal Desorption Electrospray Ionization Coupled with Triple Quadrupole Mass Spectrometry.

The growing popularity of e-cigarettes has raised significant concerns about the safety and potential abuse of these products. Compounds originally used in the medical field, such as etomidate, metomidate, and isopropoxate, have been illegally added to e-liquids, posing substantial risks to consumer health, and facilitating the misuse of illicit drugs. To address these concerns, this study developed a rapid and efficient method for detecting etomidate, metomidate, and isopropoxate in e-liquids using thermal desorption electrospray ionization coupling triple quadrupole mass spectrometry (TD-ESI/MS/MS).

Effect of Mn(II) and Co(II) on Anti- Metabolite Production by sp. an Endophyte Isolated from (Plantaginaceae).

: This study evaluates the effect of Mn(II) and Co(II) ions on the production of anti- metabolites by the endophytic fungus Aspergillus sp., isolated from . The objective was to identify metal-induced secondary metabolites with antifungal potential against drug-resistant species.

Assessment of the Variability in the Occurrence of PFAS in Fish Tissues from Selected Fisheries in the Baltic Sea.

In this study, the results of a comprehensive assessment of the variability in the occurrence of ten perfluorinated compounds (PFAS) in fish tissues originating from 2014 to 2019 from six fisheries in the Baltic Sea are presented. A total of 360 fish samples of three species (perch, herring and flatfish) were analysed. For the determination of PFAS, both linear and branched stereoisomers, LC-ESI-MS/MS technique preceded by simultaneous SPE isolation was validated and applied.

Effect of Co-Solvents, Modified Starch and Physical Parameters on the Solubility and Release Rate of Cryptotanshinone from Alcohologels.

(1) Background: The aim of the work was to investigate the influence of selected physico-chemical factors on the solubility and release rate of CT (cryptotanshinone) in alcohologels. (2) Methods: The alcohologels of methylcellulose (MC), hydroksyethylcellulose (HEC), polyacrylic acid (PA) and polyacrylic acid crosspolymer (PACP) with CT were prepared and/or doped with native potato starch (SN) and modified citrate starches (SM2.5 and SM10).

Phytochemical Profile and In Vitro Cytotoxic, Genotoxic, and Antigenotoxic Evaluation of L. Leaf Extract.

L. () is used in Italian folk medicine. This study was performed to determine genotoxic and antigenotoxic effects of leaf extract against mitomycin C (MMC) using an in vitro cytokinesis-block micronucleus assay (CBMN) in the Chinese Hamster Ovarian K1 (CHO-K1) cell line.

An Ultra-Fast Validated Green UPLC-MS/MS Approach for Assessing Revumenib in Human Liver Microsomes: In Vitro Absorption, Distribution, Metabolism, and Excretion and Metabolic Stability Evaluation.

Revumenib (SNDX-5613) is a powerful and specific inhibitor of the menin-KMT2A binding interaction. It is a small molecule that is currently being researched to treat KMT2A-rearranged (KMT2Ar) acute leukemias. Revumenib (RVB) has received Orphan Drug Designation from the US FDA for treating patients with AML.

Purple Yampee Derivatives and Byproduct Characterization for Food Applications.

This study assessed the technological potential and bioactive compounds present in purple yampee ( L.f.) lyophilized powder, peeled and whole flour, as well as the tuber peel, starch residual fiber, and wastewater mucilage.

Structural Characterization and In Vitro and In Silico Studies on the Anti--Glucosidase Activity of Anacardic Acids from .

The growing focus on sustainable use of natural resources has brought attention to cashew nut shell liquid (CNSL), a by-product rich in anacardic acids (AAs) with potential applications in diabetes treatment. In this study, three different AAs from CNSL, monoene (15:1, AAn1), diene (15:2, AAn2), and triene (15:3, AAn3), and a mixture of the three (mix) were evaluated as -glucosidase inhibitors. The samples were characterized by combining 1D and 2D NMR spectroscopy, along with ESI-MS.

Recent Trends in Advanced Glycation End Products in Foods: Formation, Toxicity, and Innovative Strategies for Extraction, Detection, and Inhibition.

Advanced glycation end products (AGEs) are produced in foods during their thermal treatment through routes like the Maillard reaction. They have been linked to various health issues such as diabetes, neurodegenerative disorders, and cardiovascular diseases. There are multiple pathways through which AGEs can form in foods and the body.

Drought Stress Inhibits the Accumulation of Rotenoids and the Biosynthesis of Drought-Responsive Phytohormones in (Edgew.) Heim Calli.

, distributed in the high-altitude, arid, and semi-arid regions of Xizang, exhibits great tolerance to drought, which is rich in rotenoids and other secondary metabolites. It is still unknown, though, how drought stress influences rotenoid synthesis in . : In this study, the calli of were subjected to 5% PEG6000 for 0, 20, and 40 h and divided into control group (CK), mild-drought-treated group (M), and high-drought-treated group (H), respectively.

A Preliminary Investigation of Thermally Stable Schiff Base Metal Complexes for Hyperthermia: Synthesis and Biological Evaluation.

A novel Schiff base ligand (L), bearing NO donor sites, was derived from the condensation of 5-chloromethylisophthaldehyde and phenylpropanolamine (PPA). Mononuclear Co(II), Cu(II), and Zn(II) complexes were synthesized and were characterized by FTIR, UV-Vis, H NMR, ESI-mass spectroscopy, molar conductance, and thermal and electrochemical studies. The thermal investigation revealed that the complexes were stable up to 150-250 °C and began to degrade in stages, resulting in the development of respective metal oxides.

Bioactive and Biological Potential of Black Chokeberry Leaves Under the Influence of Pressurized Liquid Extraction and Microwave-Assisted Extraction.

To determine the optimal conditions of pressurized liquid extraction (PLE) and microwave-assisted extraction (MAE) of polyphenols from black chokeberry leaves (BCL), temperature, time and sample-to-solvent ratio (SSR) were varied to obtain maximum polyphenols yield. The extracts were analyzed for total polyphenols (TP) as well as individual ones (UPLC ESI MS) and antioxidant capacity (FRAP, DPPH and ORAC). Moreover, the biological activity of the selected extracts was additionally determined.

Valorization of Legume By-Products Based on Polyphenols and Protein Contents for Potential Nutraceutical Applications.

A significant amount of agri-food by-products is generated by large food industry production lines. Aligned with the principles of a circular economy, this project aims to recycle and valorize legumes, such as beans, green beans and soy by-products characterized by different heat treatments, maturation stages and cultivation methods. The valorization of food waste involved the development of an Ultrasound-Assisted Extraction (UAE) method to isolate polyphenols.

Quantification of Bioactive Compounds by HPLC-ESI-MS/MS and Evaluation of Antioxidant and Enzyme Inhibitory Activities of Acorn Flour Extracts.

This study provides the first comprehensive evaluation of the bioactive potential of acorn flour extracts (, Fagaceae) prepared at different temperatures (20, 60, 80 and 100 °C), focusing on polyphenolic content, antioxidant properties and enzyme inhibitory activities. Through HPLC-ESI-MS/MS analysis, 36 bioactive compounds were identified, with the extract at 60 °C showing the highest concentrations of key polyphenols, notably gallic acid (210,008.9 mg·kg) and ellagic acid (45,469.

Antioxidant, Phytochemical, and Pharmacological Properties of Algerian Extracts.

Water mint () is used in many formulations worldwide as a functional food and natural remedy to treat gastrointestinal disorders, lung diseases, and certain mental disorders such as epilepsy and depression. This study assessed the bioactivity of its infusion extract (INF) and hydroethanolic extract (HE) to highlight its health benefits. These extracts were analyzed for their chemical composition by HPLC-DAD-ESI-MSn, their antioxidant and antidiabetic properties, and their capacities to protect human erythrocytes against induced hemoglobin oxidation and lipid peroxidation.

Gillies ex Hooker et Arnott (Oxalidaceae): Chemical Analysis, Biological In Vitro and In Vivo Properties and Behavioral Effects.

In this work, a decoction (DOe) and a methanolic global extract (MGEOe), obtained with the aerial parts of Gillies ex Hooker et Arnott (Oxalidaceae), were evaluated. The high-resolution liquid chromatography in conjunction with electrospray ionization quadrupole time-of-flight mass spectrometry (UHPLC-ESI-QTOF-MS) analysis showed forty compounds in MGEOe and twenty-nine in DOe, including flavones, C-glycosyl flavones, isoflavones, fatty acids, terpenes, phenolic acids, and sterols. The antioxidant properties were evaluated by DPPH, TEAC, FRAP, and ILP assays.

Comparative metabolomic study of twelve Acacia species by UHPLC-q-tof-ESI-MS coupled with chemometrics in correlation with antibacterial activity.

Genus Acacia comprises around 1500 species. They are widely used to treat inflammation as well as bacterial and fungal infections as they are enriched in phytochemicals, especially phenolics. The aim of this study was to evaluate the antibacterial activity of leaves' methanolic extracts of twelve Acacia species growing in Egypt against Vibrio parahaemolyticus, Salmonella enterica, Listeria monocytogens, Klebsiella pnemoniae, Bacillus aquimaris, Bacillus subtilis, and Escherichia coli.

Optimization of Tratt pomace fermentation process and the effects of mono- and mixed culture fermentation on its chemical composition.

Background: Tratt pomace (RRTP) contains valuable components like polyphenols and polysaccharides, which have high utilization value. Fermentation is an effective technique for creating beneficial nutrients that can improve the taste, appearance, and nutritional benefits of foods. Nevertheless, there is a lack of research on the alterations in chemical composition of RRTP during fermentation.

Benchmarking lung cancer screening programmes with adaptive screening frequency against the optimal screening schedules derived from the ENGAGE framework: a comparative microsimulation study.

Background: Lung cancer screening recommendations employ annual frequency for eligible individuals, despite evidence that it may not be universally optimal. The impact of imposing a structure on the screening frequency remains unknown. The ENGAGE framework, a validated framework that offers fully dynamic, analytically optimal, personalised lung cancer screening recommendations, could be used to assess the impact of screening structure on the effectiveness and efficiency of lung cancer screening.

Phytochemical Profiling by UHPLC-ESI-MS/MS, In Vitro Antioxidant, In Vivo Antidiabetic, and Pro-Sexual Effects of Salvia balansae Noë ex Coss Flower Extract in Diabetic Male Rats.

Our study assessed the phytochemical composition and the effects of Salvia balansae flower aqueous extract (FAE) on sexual dysfunction in diabetic rats. Total phenolic and flavonoid content, quantification of phytochemicals by UHPLC-ESI-MS/MS method and in vitro antioxidant capacity of FAE extract were elucidated. For the in vivo study, diabetes was induced by one intraperitoneal injection of streptozotocin (STZ) (40 mg/kg), and treated diabetic rats were given FAE at 200 mg/kg.