Structural characterization and physicochemical properties of different hydrophilic natural deep eutectic solvents.

To overcome the toxic nature of organic solvents, scientific interest in the use of green solvents, particularly natural deep eutectic solvents (NADES), has increased over the past decade, leading to new applications in the food, nutraceutical, pharmaceutical, and cosmetic industries. Understanding the physicochemical properties and molecular interactions of NADES is essential for uncovering new potential applications in these fields. In this study, several lactic and citric acid-based NADES, as well as chloride choline- and urea-based NADES, were evaluated for their physicochemical properties, including density, pH, viscosity, conductivity, and refractive index.

Pesticides and winemaking: A comprehensive review of conventional and emerging approaches.

The use of pesticides in viticulture may play a crucial role in ensuring the health and quality of grapes. This review analyzes the most common pesticides used, illustrating their classification and toxicity, and their variations throughout the winemaking process. Fungicides are generally harmless or mildly toxic, whereas insecticides are classified as either highly or moderately hazardous.

Affirming Community Cultural Wealth of Chicana/o and Latina/o Youth in a Community-Based After-School Program.

Racialized, deficit-oriented educational practices and inadequate safe spaces for youth undermine Communities of Color. We discuss our after-school program's framework, strategies, activities, and partnerships with community stakeholders, demonstrating that a collaborative, culturally responsive, strengths-based approach to mitigate trauma and enhance health and educational opportunities is essential for empowering Chicana/o/Latina/o youth and families.

Comprehensive analysis of contaminants in Brazilian infant formulas: Application of QuEChERS coupled with UHPLC-QqQ-MS/MS and suspect screening-unknown analysis by UHPLC-Q-Orbitrap-MS.

Infant formulas (IF) can contain harmful chemical substances, such as pesticides and mycotoxins, resulting from the contamination of raw materials and inputs used in the production chain, which can cause adverse effects to infants. Therefore, the quick, easy, cheap, effective, rugged, and safe (QuEChERS) methodology prior ultra-high performance liquid chromatography coupled to triple quadrupole mass spectrometry (UHPL-QqQ-MS/MS) analysis was applied for the determination of 23 contaminants, in 30 samples of Brazilian IF. The method was validated in terms of limit of detection (0.

Degradation of limonene and trans-cinnamaldehyde in soil, and detection of their metabolites by UHPLC and GC-HRMS.

Two commercial biopesticides were studied to determine their persistence in two soil types, such as sandy clay loam and clay loam soils. For this purpose, an orange oil-based biopesticide was used, being limonene its main ingredient. The other biopesticide was based on cinnamon extract and trans-cinnamaldehyde as its main component.

Tracing the dissipation of difenoconazole, its metabolites and co-formulants in tomato: A comprehensive analysis by chromatography coupled to high resolution mass spectrometry in laboratory and greenhouse trials.

The study evaluated Ceremonia 25 EC®, a plant protection product (PPP) containing difenoconazole, in tomato crops, to identify potential risks associated with PPPs, and in addition to this compound, known metabolites from difenoconazole degradation and co-formulants present in the PPP were monitored. An ultra high performance liquid chromatography coupled to quadrupole-Orbitrap mass analyser (UHPLC-Q-Orbitrap-MS) method was validated with a working range of 2 μg/kg (limit of quantification, LOQ) to 200 μg/kg. Difenoconazole degradation followed a biphasic double first-order in parallel (DFOP) kinetic model in laboratory and greenhouse trials, with high accuracy (R > 0.

Development of novel methods based on GC-HRMS and LC-HRMS for the determination of non-phthalate plasticizers in soil.

Non-phthalate plasticizers (NPPs) are a suitable alternative to phthalates, which are harmful compounds for human, animal health, and the environment. In this study, 28 commercial non-phthalate plasticizers (NPPs) from different families, including adipates, citrates, phosphates, sebacates, trimellitates, benzoates and cyclohexanoates, were determined. Two novel methods for determining these alternative compounds in soil were developed using gas chromatography coupled to high-resolution mass spectrometry (GC-HRMS-Q-Orbitrap) and liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS-Q-Orbitrap).

Degradation study of the trans-cinnamaldehyde and limonene biopesticides and their metabolites in cucumber by GC and UHPLC-HRMS: Laboratory and greenhouse studies.

Degradation of trans-cinnamaldehyde and limonene in cucumber was evaluated under laboratory and greenhouse conditions. Two commercial biopesticides, one based on cinnamon extract and other from orange oil, were utilized. Compound degradation was monitored using gas chromatography (GC) and ultra-high-performance liquid chromatography (UHPLC) coupled to a quadrupole-high-resolution mass analyzer (Q-Orbitrap).

Unveiling Coformulants in Plant Protection Products by LC-HRMS Using a Polyhydroxy Methacrylate Stationary Phase.

A polyhydroxy methacrylate-based stationary reversed phase was used for the determination of coformulants in 20 plant protection products (PPPs). These samples were analyzed by liquid chromatography coupled to Q-Orbitrap high-resolution mass spectrometry (LC-Q-Orbitrap-HRMS) in full-scan MS and data-dependent acquisition (ddMS) modes. A total of 92 coformulants were tentatively identified in these formulations by nontargeted and unknown analyses.

Suspect screening of pesticide co-formulants in fruits, vegetables and leaves by liquid and gas chromatography coupled to high resolution mass accuracy spectrometry: Potential impact on human health.

Vegetables can contain co-formulants derived from the use of plant protection products (PPPs) in crops. Thus, in the current study co-formulants were determined in different fruits and vegetables and their leaves by gas and liquid chromatography coupled to Q-Orbitrap high-resolution mass spectrometry (GC-Q-Orbitrap and LC-Q-Orbitrap-MS). A total of 37 co-formulants were tentatively identified, and among them, 12 compounds were quantified by LC-Q-Orbitrap-MS and 9 by GC-Q-Orbitrap-MS.

Monitoring of Volatile Additives from Plant Protection Products in Tomatoes Using HS-SPME-GC-HRMS: Targeted and Suspect Approaches.

Additives present in plant protection products (PPPs) are normally not monitored after sample treatments. In this study, the fate of additives detected by targeted and nontargeted analysis in tomato samples treated with two PPPs was carried out. The study was carried out in a greenhouse for 12 days, in which two applications with each PPP were made.

Critical evaluation of MS acquisition conditions and identification process in LC-Q-Orbitrap-MS for non-targeted analysis: pesticide residues as case of study.

In routine measurements, the length of analysis time and the number of samples analysed during a given time unit are crucial. Additionally, the analytical method used has to provide reliable results and be able to identify and quantify any compound present in the matrix. High-resolution equipment, including Orbitrap analysers, is commonly used for non-targeted determinations.

Uncovering the Dissipation of Chlorantraniliprole in Tomatoes: Identifying Transformation Products (TPs) and Coformulants in Greenhouse and Laboratory Studies by UHPLC-Q-Orbitrap-MS and GC-Q-Orbitrap-MS.

The present study addressed the dissipation of the insecticide chlorantraniliprole in tomatoes treated with Altacor 35 WG under laboratory and greenhouse conditions, as well as the identification of transformation products (TPs) and coformulants, performing suspect screening analysis. Analyses were performed by ultra-high-performance liquid and gas chromatography coupled to quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap-MS and GC-Q-Orbitrap-MS). In all cases, chlorantraniliprole was fitted to a biphasic kinetic model, with values greater than 0.

Dissipation of penconazole formulation in horticultural crops by ultrahigh performance liquid chromatography-high resolution mass spectrometry: From the active substance to metabolites.

The present study describes the dissipation and metabolism of penconazole in horticultural products by a method based on ultra-high performance liquid chromatography-quadrupole-orbitrap (UHPLC-Q-Orbitrap). Targeted and suspected analysis were carried out. Two independent trials were performed under laboratory conditions (on courgette samples), and under greenhouse conditions (on tomatoes) during 43 and 55 days, respectively.

Untargeted H NMR-based metabolomics and multi-technique data fusion: A promising combined approach for geographical and processing authentication of thyme by multivariate statistical analysis.

Thyme is a culinary herb highly susceptible to increasing mislabeling occurring in the spice industry. In this study, proton nuclear magnetic resonance spectroscopy (H NMR) combined with multivariate statistics was successfully applied with two authenticity purposes: (1) tracing thyme metabolic differences among three relevant geographical regions (Morocco, Spain, and Poland), and (2) assessing the influence of sterilization processing on the metabolic fingerprint. Multivariate data analysis provided six and seven key geographical and processing markers, respectively, including thymol, organic acids, chlorogenic acid, and some carbohydrates (e.

Comprehensive Dissipation of Azadirachtin in Grapes and Tomatoes: The Effect of and Tentative Identification of Unknown Metabolites.

Neem oil is a biopesticide normally applied together with () However, neither its dissipation nor the influence of has been previously evaluated. In this study, dissipation of neem oil was investigated when it was applied alone or together with at 3 and 22 °C. A methodology involving solid-liquid extraction and liquid chromatography-high-resolution mass spectrometry was developed for that purpose.

Grain Germination Changes the Profile of Phenolic Compounds and Benzoxazinoids in Wheat: A Study on Hard and Soft Cultivars.

Pre-harvest sprouting is a frequent problem for wheat culture that can be simulated by laboratory-based germination. Despite reducing baking properties, wheat sprouting has been shown to increase the bioavailability of some nutrients. It was investigated whether wheat cultivars bearing distinct grain texture characteristics (BRS Guaraim, soft vs.

Understanding the Metabolism and Dissipation Kinetics of Flutriafol in Vegetables under Laboratory and Greenhouse Scenarios.

Flutriafol is a systemic triazole fungicide that is used to control diseases in various crops. A study was developed to evaluate the metabolism and dissipation of flutriafol in two different scenarios: laboratory and greenhouse conditions. Courgette and tomato samples treated with a commercial product (IMPACT EVO) at the manufacturer recommended dose were analyzed, and courgette samples were also treated at double dose.

UHPLC-QTOF-HRMS metabolomics insight on the origin and processing authentication of thyme by comprehensive fingerprinting and chemometrics.

The metabolic composition of thyme, one of the most used aromatic herbs, is influenced by environmental and post-harvest processing factors, presenting the possibility of exploiting thyme fingerprint to assess its authenticity. In this study, a comprehensive UHPLC-QTOF-HRMS fingerprinting approach was applied with a dual objective: (1) tracing thyme from three regions of production (Spain, Morocco, and Poland) and (2) evaluating the metabolic differences in response to processing, considering sterilized thyme samples. Multivariate statistics reveal 37 and 33 key origin and processing differentiation compounds, respectively.

An untargeted strategy based on UHPLC-QTOF-HRMS metabolomics to identify markers revealing the terroir and processing effect on thyme phenolic profiling.

Thyme is one of Europe's most consumed aromatic herbs and represents a matrix susceptible to intentional mislabelling and food frauds. In this study, a phenolic profiling approach based on UHPLC-QTOF-HRMS untargeted metabolomics was used to trace its geographical origin, as well as to assess the effect of post-harvest processing by comparing sterilized vs non-sterilized thyme. Both unsupervised and supervised statistics led to reliable sample clustering, high-quality model parameters, as well as the identification of a total of 45 differential compounds (markers) for discrimination purposes.

Non-targeted analysis of co-formulants in antifungal pesticide formulations by gas chromatography-tandem high resolution mass spectrometry.

In the present study, six commercial pesticide formulations with antifungal activity were characterized. Thus, two complementary injection methods based on gas chromatography were employed: direct injection (DI) and headspace (HS), both coupled to high resolution mass spectrometry (GC-Q-Orbitrap-MS). The combination of both injection modes allowed the tentatively identification of potential co-formulants.

Instrument-Agnostizing Methodology for Liquid Chromatography-Mass Spectrometry Systems.

Mass spectrometry is a powerful analytical technique used to identify unknown compounds, to quantify known compounds, and to elucidate the structure and chemical properties of molecules. Nevertheless, the transfer of data from one instrument to another is one of the main problems, and obtaining the same or similar information from an analogous instrument but from a different manufacturer or even with the same instrument after carrying out the analyses in different times spacing is not possible. Hence, a general methodology to provide a chromatographic signal (or chromatogram) independent of the instrument is needed.

Fingerprinting based on gas chromatography-Orbitrap high-resolution mass spectrometry and chemometrics to reveal geographical origin, processing, and volatile markers for thyme authentication.

Thyme is an aromatic herb traditionally used for food purposes due to its organoleptic characteristics and medicinal properties, which is highly susceptible to food fraud. In this study, GC-HRMS-based fingerprinting was applied for the first time to determine the geographical traceability of thyme based on different origins (Spain, Poland, and Morocco), as well as to assess its processing by comparing sterilized vs. non-sterilized thyme.

Assessment of Co-Formulants in Marketed Plant Protection Products by LC-Q-Orbitrap-MS: Application of a Hybrid Data Treatment Strategy Combining Suspect Screening and Unknown Analysis.

The aim of this study was the determination of co-formulants in 15 different chlorantraniliprole- and difenoconazole-based plant protection products (PPPs) belonging to different formulations. Samples were analyzed by ultrahigh-performance liquid chromatography coupled to Q-Orbitrap high-resolution mass accuracy spectrometry (UHPLC-Q-Orbitrap-MS), operating in full-scan MS and data-dependent acquisition (ddMS) modes. A total of 78 co-formulants were tentatively identified by a combination of suspect screening and unknown analysis.

Looking beyond the Active Substance: Comprehensive Dissipation Study of Myclobutanil-Based Plant Protection Products in Tomatoes and Grapes Using Chromatographic Techniques Coupled to High-Resolution Mass Spectrometry.

A comprehensive evaluation of the dissipation of a myclobutanil plant protection product was performed in tomato and grape samples. Different temperature conditions (3 and 22 °C) were evaluated. A biphasic kinetic model provided a suitable adjustment ( > 0.