Search Results (70)

Ensuring food authenticity, traceability, and quality has become a critical challenge in increasingly complex and globalized food supply chains. Conventional post-harvest analytical approaches, while powerful, often operate in isolation and fail to fully capture the influence of pre-harvest conditions on food composition. In parallel, the emergence of smart farming technologies has enabled the collection of high-resolution environmental and agronomic data, offering new opportunities to establish baseline signatures linked to geographical origin and production practices. This review explores the integration of pre-harvest data from precision agriculture with advanced post-harvest analytical techniques, focusing on spectroscopic and isotopic methods for food authentication. Recent advances in vibrational spectroscopy, including near- and mid-infrared, Fourier-transform infrared, and Raman techniques, alongside complementary methods such as nuclear magnetic resonance and fluorescence spectroscopy, have enabled rapid and non-destructive food fingerprinting. In parallel, isotope ratio mass spectrometry and compound-specific isotope analysis provide robust markers of origin, climate conditions, and agricultural inputs through the analysis of stable isotopes of carbon, hydrogen, oxygen, nitrogen, and sulfur. The combination of these analytical approaches with chemometric and machine learning tools facilitates the extraction of meaningful patterns from complex datasets. A central focus of this review is the development of integrated farm-to-fork frameworks that use multi-source data, including field sensor technologies, spectral fingerprints, and isotopic signatures, to enhance traceability and authentication. Applications across a wide range of food systems, including edible oils, beverages, plant-based products, and animal-derived foods, are critically evaluated to highlight the strengths and limitations of current methodologies. Key challenges related to data standardization, system interoperability, cost, portability, miniaturization and regulatory acceptance are discussed, alongside emerging solutions such as artificial intelligence-driven models, digital twins, and blockchain-enabled traceability systems. The review underscores a paradigm shift from reactive testing toward predictive and real-time food authentication systems, driven by the convergence of smart agriculture and advanced analytical chemistry. This integrated approach has the potential to significantly enhance transparency, trust, and sustainability in the global food system. Full article

Mead quality is shaped by both fermentation and subsequent bottle aging, but stage-resolved descriptions that follow one production batch from honey must through fermented mead to aged mead remain scarce, particularly for region-specific single-honey products. Here, mead produced from Tithonia diversifolia honey from Southern Shan State, Myanmar, was characterised at three processing stages: pre-fermentation must (Pre), post-fermentation mead (Post), and mead bottle-aged for 1 year under ambient conditions at 24–28 °C (Aged). Physicochemical parameters were measured in three biologically independent production replicates and analysed statistically. Volatile and non-volatile profiling was performed on a single composite sample per stage, prepared by combining the three replicates, and is therefore descriptive: it characterises one production batch and does not support statistical comparison between stages. Fermentation reduced glucose and fructose from 71.9 ± 0.2 and 86.6 ± 0.8 mg/mL to below the limit of quantification, and both remained below it after aging. Mead pH rose slightly during fermentation (3.80 ± 0.07 to 3.88 ± 0.05) and fell during storage (3.67 ± 0.05), while colour shifted towards the lighter end of the Pfund scale rather than browning. Semi-quantitative electronic-nose analysis detected 60 putative volatile candidates across the sequence. The pre-fermentation profile was the least similar to the others (Pre versus Post, r = 0.16; Pre versus Aged, r = 0.04, against r = 0.38 between Post and Aged), and the post-fermentation profile was dominated by alcohol- and sulfur-associated responses. Twenty-nine candidates were detected only after fermentation, and 17 were shared between the fermented and aged mead, while the aged sample additionally contained candidates, including pentanol, 2-methylpropanoic acid, propyl acetate, 2-methylbutanal, thiophene, and terpinen-4-ol. Untargeted UHPLC-QTOF/MS resolved 10 non-volatile features that differed in detection across the three stages; these were putatively annotated by accurate mass, isotopic fidelity, and MS/MS library matching, with peptides and peptide derivatives forming the largest group. Because no authentic standards were analysed, these annotations remain tentative. Because the profiling data derive from one batch of one monofloral honey fermented with one yeast strain and were not confirmed by orthogonal or sensory methods, the compounds reported here define a candidate feature list for targeted validation in T. diversifolia mead rather than established markers of mead maturation. Full article

River sediments act not only as important sinks for heavy metal pollution in watersheds, but also as potential secondary sources under changing environmental conditions. Heavy metals can enter river systems through industrial wastewater discharge, agricultural non-point runoff, urban stormwater and sewage inputs, mining and smelting activities, and atmospheric deposition. During adsorption onto suspended particles, sedimentation, and resuspension, metals such as Cd, Pb, Cr, Cu, Zn, Ni, As, and Hg progressively accumulate in sediments. Because heavy metals are persistent, non-degradable, and bioaccumulative, contaminated sediments can record historical watershed pollution while also releasing metals back into overlying water under hydrodynamic disturbance, pH and redox fluctuations, organic matter mineralization, benthic bioturbation, and dredging activities, thereby threatening aquatic ecosystem stability and human health. Using a global methodological framework with particular emphasis on Chinese river basins, this review systematically summarizes key issues in the study of heavy metal pollution in river sediments, including spatial–temporal distribution and operationally defined fractionation, pollution levels and ecological risk assessment, source apportionment, and remediation and management technologies. Current evidence indicates that heavy metal contamination in river sediments exhibits pronounced spatial heterogeneity and watershed-specific characteristics. Its distribution is jointly controlled by geological background, land use patterns, source input intensity, hydrodynamic conditions, sediment particle size composition, and organic matter content. Methodologically, the field has evolved from single total concentration monitoring and exceedance-based evaluation toward integrated assessment systems that combine total concentrations, operationally defined fractionation, bioavailability, ecological risk, health risk, and source contribution. The joint use of BCR sequential extraction, the geoaccumulation index (Igeo), the pollution load index (PLI), the potential ecological risk index (RI), the risk assessment code (RAC), sediment quality guidelines (SQGs), receptor models, isotope tracing, and machine learning has substantially improved pollution identification, risk zoning, and source apportionment. Overall, research on heavy metal pollution in river sediments has shifted from descriptive judgments of whether contamination exists toward mechanistic and management-oriented questions concerning pollution sources, risk evolution, and remediation strategies. However, important gaps remain in compound pollution transformation mechanisms, regional background values and evaluation benchmarks, uncertainty in model parameters, long-term dynamic monitoring, and engineering-scale verification of remediation technologies. Future studies should strengthen multi-media, multi-scale, and long-term monitoring and further integrate fractionation analysis, toxicological effects, source apportionment models, and remediation technologies to provide a scientific basis for watershed ecological security and precision management of contaminated sediments. Full article

Although neonicotinoids (NEOs) insecticides have been extensively detected in environmental matrices, their electron ionization (EI) fragmentation patterns have never been systematically elucidated. Because of the poor thermal stability of NEOs, gas chromatography–mass spectrometry (GC-MS) is rarely used in analysis of NEOs. This work investigated eight representative NEOs by GC-MS using multiple isotopically labeled standards, including ²H and ¹³C labeled standards to clarify fragmentation routes and establish robust structural assignment criteria. We found two main factors affecting EI fragmentation patterns. (1) The pharmacophore controlled the backbone cleavage pathway. Specifically, nitroguanidines underwent transketolation with loss of N₂O, while cyanoamidines fragment via α-cleavage. (2) The heterocycle moiety determined the diagnostic fragment ion. A heterocyclic group with chloropyridine gave the diagnostic fragment ion of m/z 126, and a chlorothiazole moiety gave the diagnostic fragment ion of m/z 132. The lack of m/z 126 and m/z 132 ions in the case of dinotefuran (DNT), which contained neither of these two moieties, indirectly suggested the rules. This set of rules effectively bridged the gap in EI mass spectral interpretation, providing a basis for ion transition selection and fragment assignment during GC-MS method development. Moreover, it could provide supportive mass-spectrometric clues for potential application in the structural elucidation of related compounds. Full article

Lethal foodborne illness outbreaks represent a critical intersection of public health surveillance, environmental health, and forensic toxicology. When acute gastrointestinal syndromes lead to sudden death, traditional postmortem investigation techniques are often hindered by tissue autolysis and the overgrowth of putrefactive microflora, which complicate conventional microbiological assays. This review establishes a comprehensive framework for chemical forensics by evaluating the utility of stable isotope analysis (SIA) as a supportive, probabilistic chemical proxy to complement traditional epidemiological investigations of postmortem food contamination sources. Following JBI scoping review guidelines and the PRISMA-ScR reporting framework, data from 42 peer-reviewed articles (2000–2026) were charted and synthesized to map natural isotopic variations (δ¹³C, δ¹⁵N, δ¹⁸O, δ²H and δ³⁴S) across both forensic decedents and environmental reservoirs. The findings outline a structured, multi-tissue diagnostic cascade governed by biological metabolic turnover rates: unabsorbed gastric chyme provides a direct chemical match to contaminated source food items within a hyper-acute 0–6 h window; high-turnover visceral matrices (liver, blood plasma) shift to reflect acute exposure profiles within 1–7 days; and continuously fixed keratinized matrices (hair, nails) archive multi-month dietary and transcontinental transit histories. Furthermore, compound-specific isotope analysis (CSIA) of individual amino acids offers unprecedented structural resolution, utilizing the carbon discrimination metric (Δ¹³C_glu-phe) to differentiate pristine agricultural signatures from endogenous metabolic distortions while biochemically verifying pre-mortem physiological stress and hyper-catabolic muscle wasting. Taphonomic thresholds were explicitly defined, establishing that bulk visceral soft tissues remain isotopically stable (±0.3‰) for up to 48 h at room temperature (~21 °C) before microbially induced nitrogen enrichment (δ¹⁵N > +2.8‰) alters native profiles, whereas hair and nail keratin maintain absolute isotopic stability for over 180 days postmortem. When pristine multi-isotope signatures are coupled with mandatory chloroform–methanol lipid extraction and processed through spatial Bayesian assignment models, geographic provenance tracking via environmental isoscapes achieves a predictive accuracy of 97%. This review introduces a standardized environmental health protocol designed to harmonize field environmental sampling with medical autopsies. This protocol provides a legally robust strategy for investigating unresolved lethal foodborne illness case-outbreaks, particularly those involving pediatric mortalities linked to the consumption of counterfeit or fraudulent food products in low- and middle-income countries. Furthermore, it aims to strengthen national and municipal legal frameworks and international biosecurity enforcement. Full article

Small pelagic fishes play a crucial role in structuring marine food webs, yet their trophic flexibility and feeding interactions remain poorly understood in highly dynamic, nutrient-rich systems such as upwelling regions. This study combines bulk stable isotope analysis (δ¹³C and δ¹⁵N), compound-specific nitrogen isotope analysis of amino acids (CSIA-AA), and fatty acid (FA) profiles to assess feeding patterns and trophic overlap among four planktivorous species in the North Iberian shelf (Galicia and the Cantabrian Sea). The combined trophic indicators reveal clear niche partitioning between clupeids (sardine and anchovy) and scombrids (mackerel and chub mackerel), with the latter exhibiting higher CSIA-AA-derived trophic positions and distinct FA composition. Our analysis further shows that fatty acid biomarkers are essential for resolving finer-scale differences within each group, driven by variable contributions of phytoplankton and zooplankton to species diets. Although all species shared resources within the same food web, isotopic baselines indicate a decoupling between carbon and nitrogen pathways. For sardine, we compared neutral and polar lipid fractions with the total lipid extract in terms of FA composition and key dietary markers. Our results suggest that separating lipid fractions can improve dietary resolution, especially when lipid content is low. Overall, our findings highlight the value of integrating classical and emerging biochemical tracers to better resolve trophic dynamics in coexisting planktivorous fishes. Full article

Stable carbon (δ¹³C) and nitrogen (δ¹⁵N) isotope analysis of bone collagen has become a cornerstone method for reconstructing the diets of past populations. This critical review moves beyond the mere presentation of data to examine the theoretical foundations, methodologies, and applications of this approach. The principles of the method are based on isotopic fractionation during photosynthetic pathways (C₃, C₄, and CAM) and the trophic-level enrichment of ¹⁵N, which together enable the differentiation of plant food sources and the identification of consumer trophic position, respectively. The methodology encompasses sampling strategies, challenges posed by diagenesis, collagen extraction protocols, including the Longin method, and quality-control criteria (collagen yield, C:N ratio). Key applications include the reconstruction of baseline diets, the determination of weaning practices, and the identification of social inequalities. However, confounding factors—such as climate-driven variation in baseline nitrogen values, physiological effects (disease, lactation), and the consequences of human activities (manuring)—can complicate interpretation. Future directions include compound-specific amino acid analysis, multi-isotope approaches, and Bayesian modelling. In conclusion, isotopic data require a contextual and interdisciplinary approach to achieve a realistic understanding of diet and socio-cultural dynamics during the Quaternary. Full article

Peak annotation in Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) is a persistent bottleneck that typically requires the manual assignment of chemical formulas to hundreds of fragment ion peaks per spectrum. This work describes a physics-informed probabilistic framework that automates this task by combining five chemically motivated constraints—Gaussian mass accuracy, element composition priors, isotope pattern matching, nitrogen rule parity, and graded valence bounds—into a multiplicative belief score. We evaluate the framework on 643 ground-truth peaks from 151 compounds spanning both positive and negative ion modes, and we explicitly distinguish two regimes. As a scoring task—when the correct formula is present in the candidate list—the framework attains 52.3% Top-1 and 76.4% Top-3 accuracy, a 4.9-fold improvement over mass-only scoring. In fully automated end-to-end deployment, where candidates are generated de novo, Top-1 accuracy is 26.3%; the limiting factor is candidate generation rather than scoring, as only 46.5% of ground-truth formulas are currently produced by the database and combinatorial generator. Leave-One-Compound-Out Cross-Validation (59 compounds, 525 peaks) yields 51.8% Top-1 accuracy with fixed domain-knowledge weights, confirming generalization stability. Ablation analysis identifies element composition priors as the dominant non-mass constraint (−27.7 percentage points when removed), followed by isotope matching (−10.3 pp) and the nitrogen rule (−5.3 pp). The framework requires no labeled training spectra—relying instead on physically motivated priors and curated fragment databases—provides interpretable per-constraint scores (which represent relative rankings rather than calibrated probabilities), and supports polarity-specific configurations, offering a practical computational foundation for automated ToF-SIMS spectrum interpretation. Full article

In the context of the energy transition and the increasing deployment of low-carbon gases (hydrogen, biomethane), reliable analytical monitoring is required to support integrity assessment and traceability of gas infrastructures under diverse on-site conditions while limiting analytical costs through standardized sampling and a single analytical system. We developed and validated integrated workflows combining sampling and laboratory analysis for chemical and compound-specific isotope analysis (CSIA) of natural gas and associated gaseous effluents in underground storage. An original quantification approach was implemented, linking sampling pressure to the amount of each compound collected in vials, and coupled with δ¹³C and δ²H measurements of alkanes (C₁–C₃), CO₂ and H₂. Two complementary sampling modes were optimized and compared: conventional high-pressure cylinders and direct collection into vacuum-sealed vials suitable for a broad range of pressures and field conditions. Using reference gas mixtures and operational samples, both approaches showed good reproducibility and isotopic accuracy during laboratory validation and over two years of monitoring. In particular, δ²H determinations for alkanes and H₂ remained robust under low-pressure sampling typical of annular spaces (~1–2 bar), despite gas-composition fluctuations. These validated methodologies provide a flexible basis for routine, standardized monitoring of stored and circulating gases, including emerging low-carbon components. Full article

Emerging contaminants (ECs) are trace-level chemical and biological compounds detected in the environment, particularly in water, including personal care products, microplastics, nanoplastics, antibiotic resistance genes, etc., which have the potential to endanger ecosystems and human health. Forensic techniques, which are used to detect and trace the sources of ECs with specificity and accuracy, like gas and liquid chromatography coupled with mass spectrometry, Fourier transform infrared spectroscopy, inductively coupled plasma mass spectrometry, isotope ratio mass spectrometry, remote sensing, geographical information systems, and statistical and machine learning approaches are discussed in this study. The present analysis also outlines the types of emerging contaminants, along with their possible sources, including domestic and municipal wastewater, wastewater from healthcare institutions, urban runoff and stormwater, industrial and commercial discharges, effluents from agricultural and animal husbandry, and pollution from recreational activities in water. The review concludes by emphasizing the future need for real-time detection systems, integrated data analysis, and stronger regulatory frameworks to manage ECs more effectively. Full article

Commercial smooth-hound sharks of the genus Mustelus are commonly landed and consumed in Mediterranean fisheries, raising concerns about potential human exposure to persistent contaminants. This study investigated the occurrence of organochlorine compounds (OCs), including hexachlorobenzene (HCB), dichlorodiphenyltrichloroethane (DDT) and its metabolites, and polychlorinated biphenyls (PCBs), together with per- and polyfluoroalkyl substances (PFAS), in muscle and liver tissues of Mustelus mustelus and Mustelus punctulatus collected in the waters of the Egadi Archipelago (central Mediterranean Sea). OCs were detected in all analyzed samples, with total PCB concentrations reaching higher values in liver compared to muscle tissues, reflecting tissue-specific accumulation and detoxification processes. PFAS were detected in all analyzed muscle samples (1.10–58.5 ng/g w.w.), with PFOS, PFOA and PFNA generally below current European regulatory thresholds, although isolated exceedances were observed. Stable isotope analysis (δ¹³C and δ¹⁵N) highlighted differences in trophic ecology between the two species and suggested that feeding habitat and trophic position may influence contaminant exposure patterns, particularly in M. punctulatus. The human health risk assessment, conducted as a screening-level evaluation, indicated potential concern associated with PCB concentrations in liver tissue, while risks associated with muscle consumption were generally lower. Overall, the integration of contaminant analysis and stable isotopes provides insights into organismal exposure pathways and supports the use of smooth-hound sharks as sentinels of contaminant presence in Mediterranean coastal ecosystems. Full article

Deep and ultra-deep petroleum resources have become major contributors to petroleum reserves. The Tarim Basin has recently witnessed discoveries of several oil reservoirs at depths exceeding 8000 m, which extend the exploration depth limit for crude oil and light oil resources. To clarify the role of overpressure during the critical stage of crude oil cracking (Easy Ro ≈ 1.0–2.0%), this study conducted low-temperature, long-duration, overpressure (150 MPa) gold tube pyrolysis experiments on marine crude oil from the Tarim Basin. Comprehensive analysis of the cracking products (C₁–C₃₀₊) revealed significant differences in the thermal stability and cracking behavior of hydrocarbon molecules with different chain lengths: long-chain hydrocarbons (C₁₂₊) were continuously consumed as the primary reactants, whereas short-chain hydrocarbons (C₆–C₁₂) initially formed as products and subsequently underwent secondary cracking as reactants. During this process, overpressure played a critical role in delaying the yield peak of light hydrocarbons and suppressing their secondary cracking. This mechanism resulted in a slower increase in gaseous hydrocarbon yield under overpressure conditions, and the carbon isotopic composition clearly recorded a shift in the cracking precursors from heavy to light hydrocarbons. Furthermore, fluorescence lifetime, as a sensitive spectroscopic indicator, exhibited delayed decay under overpressure, confirming the inhibition of aromatization and polymerization reactions by overpressure. By illuminating the sequential nature of hydrocarbon cracking and the moderating influence of overpressure at molecular and spectroscopic levels, this work offers crucial evidence for understanding multi-phase hydrocarbon coexistence and forecasting the preservation depth of discrete-phase crude oil in the Shuntuoguole area. Full article

The majority of research on food webs has focused on temperate lakes, and little is known about the food web of lakes in polar regions. Subarctic lakes are particularly sensitive to climate change, which affects their stability. Therefore, the trophic structure of the food web in such lakes was considered as the object of this study. We studied a clear-water oligotrophic lake located in the subarctic region of Eurasia, specifically in northern Karelia and the White Sea coast of Russia. The study examined both open water periods (summer–autumn) and ice-covered periods (winter–spring) in this lake. Stable isotope analysis of carbon (¹³C/¹²C ratio or δ¹³C value) and nitrogen (¹⁵N/¹⁴N, δ¹⁵N) in producers and consumers was applied and revealed significant seasonal variations in the structure of the food web. The results indicate the presence of both pelagic and littoral/benthic food web compartments, with a notable contribution of autochthonous carbon derived from benthic sources. Omnivorous fish (perch, Perca fluviatilis; vendace, Coregonus albula; nine-spined sticklebacks, Pungitius pungitius) and some benthic invertebrates (mayfly, Ephemera vulgata; bivalves, Sphaerium corneum) had intermediate δ¹³C values, integrating these compartments by obtaining resources from both. Planktonic invertebrates had significantly depleted ¹³C, with the lowest δ¹³C value reaching −41.7‰, indicating an important contribution of methane-derived carbon. The study also revealed close trophic relationships between lake invertebrates and cyanobacteria, namely with planktonic Dolichospermum lemmermannii and benthic Phormidium sp. Seasonal changes in δ¹⁵N values and in trophic position have been observed among predacious omnivorous fish and crustaceans (amphipods, Gammaracanthus loricatus, and copepods, Cyclops scutifer), which are capable of a generalist feeding strategy depending on food availability. Using the example of this lake, it can be concluded that polar lake ecosystems are characterized by different seasonal intakes of allochthonous organic carbon from wetland catchment (humic compounds) and nitrogen because of nitrogen fixation in the air by cyanoprocaryotes. Alternative energy sources, such as carbon derived from methane, can also contribute to the energy balance of lake ecosystems. This study contributes to our understanding of energy flow and connectivity between producers and consumers in high-latitude lakes. Full article

Biomass of the plumose anemone Metridium senile has surged in the benthic ecosystem of the North Yellow Sea in recent years. Understanding its diet and the proportional contributions of food sources is essential for assessing the ecological consequences of this expansion. The species is often characterized as a passive suspension feeder, yet laboratory feeding trials have documented shrimp consumption. Because prior dietary information from the region is scarce, conventional stable isotope approaches are poorly constrained. We developed an integrative framework coupling trophic position estimation, isotopic niche metrics, spatial point pattern analysis, and a Bayesian mixing model to improve diet attribution under limited prior information and to test whether M. senile preys on small-bodied and juvenile teleosts and invertebrates under natural conditions. Our analyses showed that: (i) M. senile occupied a high trophic position (TP = 3.09 ± 0.25), exceeding those estimated for putative predators in our dataset, implying weak top-down control; (ii) in isotopic niche analyses, M. senile showed high posterior probabilities of occurring within the niches of cephalopods and medium-sized fishes (78.30% and 63.04%, respectively), consistent with shared prey and inconsistent with a strictly suspension-feeding strategy; (iii) mixing space diagnostics informed by spatial point pattern analysis indicated that including small-sized fishes and shrimps as sources was necessary to reconcile the elevated TP; and (iv) the Bayesian mixing model estimated that small-bodied and juvenile teleosts and invertebrates supplied most long-term nutrition (posterior mean ≈ 0.65), with the remainder from suspension-derived sources, consistent with an opportunistic generalist rather than a strict suspension feeder. Sustained predation on small-bodied and juvenile teleosts and invertebrates could suppress early fish recruitment, impose top-down control on forage species, and alter the local food web structure. Management should monitor M. senile (size structure, population density, and co-occurrence with juveniles and forage biota) and consider targeted removals and seafloor litter cleanups in priority habitats. The framework is applicable to diet studies with limited prior information; adding δ³⁴S, compound-specific amino-acid isotopes (CSIA-AA), and DNA-based dietary evidence should further sharpen source discrimination. Full article

Gallium-68 is a widely used positron-emitting radionuclide in nuclear medicine, traditionally obtained from ⁶⁸Ge/⁶⁸Ga generators. However, increasing clinical demand has driven interest in alternative production methods, such as medical cyclotrons equipped with solid targets. This study evaluates the functional equivalence of gallium-68 chloride obtained from cyclotron solid target and formulated to be equivalent to the eluate from a germanium-gallium generator, aiming to determine whether this production method can serve as a reliable alternative for PET radiopharmaceutical applications. Preparations of [⁶⁸Ga]Ga-PSMA-11 and [⁶⁸Ga]Ga-DOTATOC, labeled with cyclotron-derived gallium-68 chloride, were subjected to quality control analysis using radio thin layer chromatography and radio high performance liquid chromatography. Subsequently, biodistribution studies were performed in mouse oncological models of expression of PSMA antigen and SSTR receptor to compare uptake of preparations produced with generator and cyclotron-derived isotopes. All tested formulations met the required radiochemical purity specifications. Moreover, tumor accumulation of the radiolabeled compounds was comparable regardless of the isotope source. The results support the conclusion that gallium-68 produced via cyclotron is functionally equivalent to that obtained from a generator, demonstrating its potential for interchangeable use in clinical and research radiopharmaceutical applications. Full article