A deep learning framework integrating SMOTE algorithm and GC e-nose for tracing the geographical origins of food: taking Astragali Radix as an example.

Plastic-contaminant interactions in the semi-enclosed Black Sea basin.

Tumor and red blood cell fatty acid composition as a potential indicator of outcomes in breast cancer: Findings from a retrospective cohort study.

Plastitar and pyroplastics as emerging vectors of coastal pollution: Chemical identification from Panjang Island (Java Sea) and Palm Beach, Florida.

Profiling the volatile organic compound signature of illicit drugs.

Chirality plays a crucial role in pharmaceutical development, as enantiomers often display distinct therapeutic, pharmacokinetic, and safety profiles. Calcium channel blockers (CCBs), a cornerstone in antihypertensive therapy, frequently possess one or more chiral centers, making enantioselective analysis essential for pharmacological and regulatory accuracy. Despite growing evidence of stereoselective differences, most marketed CCBs remain available as racemates, underscoring the need for refined analytical approaches. This review aims to bridge that gap by critically synthesizing advances in analytical, bioanalytical, and regulatory strategies for chiral CCBs. Key separation platforms-including high-performance liquid chromatography (HPLC), capillary electrophoresis (CE), gas chromatography (GC), and supercritical fluid chromatography (SFC)-are evaluated with emphasis on chiral stationary phases such as polysaccharides, cyclodextrins, macrocyclic antibiotics, and crown ethers. Recent innovations in hyphenated mass spectrometry, spectroscopic techniques, and eco-friendly miniaturized systems are highlighted for their ability to enhance enantioselectivity, reduce solvent consumption, and improve sensitivity in complex matrices. Case studies illustrate the pharmacokinetic and pharmacodynamic relevance of individual enantiomers, reinforcing the clinical impact of chirality in CCB therapy. The review concludes by identifying current limitations and exploring future directions, including AI-assisted selector design, green chemistry integration, and lab-on-chip platforms to advance personalized antihypertensive treatment.

Short-term docosahexaenoic acid rich diet prevents cognitive deficits in human apolipoprotein E epsilon 4-targeted replacement mice.

The pine tip moth Dioryctria sylvestrella (Lepidoptera: Pyralidae) is a cambium miner of Mongolian Scots pine (Pinus sylvestris var. mongolica) and Korean pine (P. koraiensis), exerting devastating effects on forests throughout Eurasia. Larval galleries girdle the phloem, causing crown die-back and stand-scale mortality during outbreaks. Because larvae feed cryptically beneath the bark, contact insecticides seldom reach the target stage; consequently, infestations are usually detected only after economic injury has occurred. Therefore, a species-specific, early warning tool is urgently needed to effectively forecast population build-up and trigger precise interventions to avoid large-scale losses. Dioryctria sylvestrella pheromone gland profiling was performed by coupled gas chromatography (GC)-electroantennographic detection (EAD) and GC-mass spectrometry, and these results were reinforced by microderivatization with dimethyl disulfide and 4-methyl-1,2,4-triazoline-3,5-dione. A four-component sex pheromone released by calling D. sylvestrella females was identified comprising (Z)-9-tetradecenyl acetate (Z9-14:OAc). (9Z,11E)-tetradecadienyl acetate (Z9,E11-14:OAc), (Z)-11-hexadecenyl acetate (Z11-16:OAc), and (3Z,6Z,9Z,12Z,15Z)-pentacosapentaene (C25 pentaene) at a 1:2:10:10 ratio. The double-bond positions and geometries were determined according to retention times and diagnostic adduct ions. Field assays identified an optimal lure loading of 100:200:2000:1000 μg/dispenser of the four components. Heterospecific acetates (Z)-7-dodecenyl acetate (Z7-12:OAc) and (Z)-9-dodecenyl acetate (Z9-12:OAc), which are strong EAD stimulants, eliminated the trap efficacy, confirming their role as behavioral antagonists. We report the first fully optimized, species-specific four-component sex pheromone for D. sylvestrella. The optimal formulation can be immediately deployed for region-wide monitoring, mass-trapping, and future mating-disruption programs against this cryptic forest pest. © 2026 Society of Chemical Industry.

Supercritical fluid chromatography hyphenated with dielectric barrier discharge ionization mass spectrometry: A universal approach to analysis of complex plant extracts.

Characterization of the key aroma compounds in Baojing Huangjincha 1 green tea through molecular docking and molecular sensory science.

Exploring the impact of cooking methods on the nutritional, oxidative, and sensory qualities of Sichuan fragrant rapeseed oil using integrated metabolomics and flavoromics.

The aim was to investigate and clarify the cause of death of a 26-year-old male found dead in his apartment. It was known that the individual used drugs of abuse. In the apartment, the police found amongst others a "brown powder" and a glass bottle labeled with "2-methyl-2-butanol" (2m2b). Autopsy and chemical analyses were performed. The autopsy revealed unspecific morphological signs of an intoxication (cerebral swelling and cyanosis, pulmonary edema, full urine bladder). Headspace gas chromatography with flame ionization detection (HS-GC-FID) was used to determine 2m2b and ethanol. Concentrations of 245mg/L and 225mg/L 2m2b could be detected in the femoral vein blood specimen and urine, respectively. Ethanol was detected below the level of quantification (0,2g/L) in both matrices. The detected blood concentration of 2m2b was more than twice as high as the 2m2b concentration described as comatose in a previous published case report. However, in the presented case further analysis revealed toxic concentrations of methamphetamine and venlafaxine and also identified a previous intake of heroin and diazepam. Thus, a combined drug intoxication was assumed as cause of death. Little is known about the abuse of 2m2b as an alternative to ethanol. Since 2m2b is widely available, cheap, more potent than ethanol, while lacking its hangover effects and is likely not detected by routine HS-GC-FID methods for the detection of blood ethanol concentrations, it may be of forensic relevance.

Phytochemical characterization and toxicological evaluation of Myrciaria pilosa leaf essential oil using experimental and computational strategies.

Species-specific isotopic analysis of mercury in marine biota: Systematic evaluation of extraction and oxidation methods for a straightforward analytical approach.

The wetting of a powder or porous material by a liquid is a crucial first step in processes such as dispersion, dissolution, granulation and reconstitution, which are important in fields such as mineral processing, pharmacy and food science. It is also essential for hydrating soil in agriculture. It is important for efficient oil recovery and, in the future, it may help to store CO2 underground. The article provides a comprehensive review of the wetting of powders and granular materials, emphasizing the complexity introduced by surface heterogeneity, particle size distribution, and structural inhomogeneity. It begins by describing wetting phenomena on ideal, planar or regular surfaces. Fundamental concepts such as the Young equation and contact angle hysteresis, as well as the influence of surface roughness, heterogeneity, and dynamic effects, adaptation, and slide electrification. The review then analyzes how these theoretical frameworks extend to realistic powders, where a single contact angle is insufficient to characterize wetting behavior but whole distributions of contact angles are obtained. Several experimental methods for characterizing the wettability and surface energy of powders are discussed, including capillary rise, sessile drop and drop penetration test, X-ray tomography, inverse gas chromatography, secondary-ion mass spectrometry, sink and drop impact tests. The article highlights the limitations and suitability of each method in relation to specific applications and recommends careful selection based on application needs and powder properties.

Occurrence of plastic additives in different edible bivalve mollusc species from Galician Rías, NW Spain. Exposure and human health risk estimation.

Phytochemical study of Capparis cartilaginea extract and its potential effect on the inhibition of Eimeria tenella oocysts.

The dynamic nature of protein and macromolecular complexes means that the capture of multiple sequential states along a reaction pathway can provide much greater insight into function than that obtained from a single static structure. We present a set of modular, easy-to-implement tools and workflows for optical excitation, on-grid characterization and tightly coupled rapid vitrification, establishing a proof-of-principle framework for time-resolved cryoEM and cryo-electron tomography (cryoET). We apply this framework to E. coli chemotaxis, in which serine-sensitive chemoreceptors initiate signalling upon ligand binding and undergo critical conformational changes within the chemosensory arrays. Using DMNB-caged serine [O-(4,5-dimethoxy-2-nitrobenzyl)-L-serine] as a model trigger, we quantified its photophysical properties and uncaging efficiency using UV-Vis spectroscopy and two-dimensional gas chromatography mass spectrometry (GC×GC-MS). Coupling a femtosecond-pulsed laser to a Vitrobot enabled reproducible reaction-to-vitrification delays of ∼150 ms, yielding intact E. coli minicells with well-preserved chemotaxis arrays suitable for in situ structural analysis by cryoET. This integrated approach provides a robust and generalisable framework for millisecond time-resolved cryoET, laying the groundwork for capturing transient conformational states in their native cellular context.

Cadmium is a hazardous metal that induces oxidative stress, hepato-renal dysfunction, and metabolic disturbances. This study investigated the protective potential of bioactive secondary metabolites extracted from endophytic Fusarium equiseti (FE) against cadmium-induced toxicity. Gas chromatography- Mass Spectrometry (GC-MS) profiling revealed 17 compounds dominated by esters (67%) and fatty acids (26%). The major constituents were 9,12-Octadecadienoic acid (Z,Z) (10.21%), and Oleic acid (8.13%). In vitro-FE exhibited dose dependent antioxidant activity (IC50 = 145.91µ g/ml in DPPH assay) and broad-spectrum antimicrobial efficacy, producing inhibition zones up to 46 mm against E. coli. Anti- inflammatory evaluation showed hemolysis inhibition rising from 3.1% (100 µg/mL) to 55.9% (1000 µg/ml). Furthermore, the MTT assay revealed that the FE exhibited moderate cytotoxicity against HeLa and PC3 (IC50 values of 194.15µg/ml and 162.88µg/ml, respectively) cancer cell lines, while showing a lower toxicity toward normal WI38 cells (IC50 of 237.26µg/ml; Selectivity Index up to 1.46). These metabolites are suggested to be the key contributors to the extract's antioxidant and antimicrobial activities. In vivo, twenty Wistar rats were randomly assigned to four sets (n = 5 per set): (1) Control; (2) CdCl2, receiving a single IP dose of 3 mg/kg; (3) FE (100 mg/ kg; OP; for 14 constitutive days; and (4) FE + CdCl2. CdCl2 significantly elevated WBCs, lymphocyte, MDA, ALT, AST, ALP, creatinine, uric acid, total lipids, TG, CH, and LDL- C while reducing bilirubin, albumin, HDL-C, SOD, and GSH. Pretreatment with FE markedly restored antioxidant markers (SOD and GSH), reduced MDA, normalized lipid and liver profiles, and improved hepato-renal histopathology. These findings show that FE metabolites exert antioxidant, antimicrobial, anti-inflammatory, and cytoprotective effects, mitigating cadmium- induced oxidative damage. FE represents a promising natural source for developing hepato-renal protective agents against heavy metal toxicity.

Approaches to using retention indices with coupled column pressure tuning in gas chromatography.