Extraction, Identification, and Quantification of Polyphenols from the Theobroma cacao L. Fruit: Yield vs. Environmental Friendliness.

The cacao fruit is a rich source of polyphenols, including flavonoids and phenolic acids, which possess significant health benefits. The accurate identification and quantification of these bioactive compounds extracted from different parts of the cacao fruit, such as pods, beans, nibs, and cacao shells, require specific treatment conditions and analytical techniques. This review presents a comprehensive comparison of extraction processes and analytical techniques used to identify and quantify polyphenols from various parts of the cacao fruit. Additionally, it highlights the environmental impact of these methods, exploring the challenges and opportunities in selecting and utilizing extraction, analytical, and impact assessment techniques, while considering polyphenols' yield. The review aims to provide a thorough overview of the current knowledge that can guide future decisions for those seeking to obtain polyphenols from different parts of the cacao fruit.

Analytical methods for the determination of xylazine in pharmaceutical, clinical and forensic matrices - A review.

Xylazine, a non-opioid veterinary anaesthetic tranquillizer that is not licensed for human use, has been linked to an increase in overdose fatalities worldwide. The study delves into the forensic aspects of xylazine usage, emphasizing on chemical, clinical and toxicological analyses of drug seizures, bodily fluids and tissues. It advocates for validated analytical methods for determining xylazine. This study provides supporting material to pave the path for the usage and development of relevant and verified alternative screening and confirmation methods for laboratories. Google Scholar, Scopus, Science Direct and PubMed were searched for relevant articles and case reports in relation to xylazine misuse and established analytical methods for forensic investigation until April 2023. A total of 79 articles were evaluated, and 40 publications met the inclusion criteria. The most prevalent xylazine exposures recorded were incidental and intentional misuse/abuse. Common symptoms upon presentation were hypotension, bradycardia, drowsiness and lethargy, although mortality was less prevalent. Solid-phase extraction and liquid-liquid extraction are two extensively used sample preparation techniques. These techniques are used to extract desired analytes from complex matrices. Several analytical techniques have been stated, including GC-MS, LC-MS/MS, HPLC-DAD and others. The analytical procedures used are determined by the matrices involved, the amount of xylazine present, interfering compounds, the degree of precision required and the laboratory infrastructure. In the present context, the LC-MS/MS methods are preferred as the gold standard. In the near future, many analytical techniques such as capillary electrophoresis, PSI-MS, immuno-analytical techniques and SERRS may show significant potential.

Analytical methods, risk assessment, and mitigation strategies for furan in processed foods in various countries.

This article provides an overview of analytical methods for measuring furan levels in food. Given the potential carcinogenicity of furans in humans, several studies have focused on assessing furan levels in various food products. In this review, we specifically examine furan levels in foods that are central to regional culinary traditions and summarize the results of country-specific risk assessments. Consequently, we have identified foods that contribute significantly to dietary furan exposure in each region. Coffee and baby foods, regardless of region, emerged as the primary sources of furan intake among adults and infants, respectively. Several previous studies have been conducted to develop various mitigation strategies aimed at reducing exposure to furan through food intake. Therefore, in this paper, we categorize effective mitigation strategies into two main groups: alterations to processing conditions and the addition or removal of food additives and ingredients.

A new class of contaminants of concern? A comprehensive review of liquid crystal monomers.

Liquid crystal monomers (LCMs) are a class of emerging contaminants of concern predicted to be persistent, bioaccumulative and toxic (PBT). Being one of the key components in liquid crystal displays (LCDs), the disposal of LCD containing devices is closely related to the emission of LCMs into the environment. LCMs have been detected in a wide range of environmental matrices including dust, sediment, soil, sewage leachate, and air, with concentration ranges between 17 and 2121 ng/g found in indoor residential dust. Furthermore, they have been detected on human skin at concentrations up to 2,071,000 ng/m2 and in the serum of e-waste dismantling workers, at concentrations ranging from 3.9 to 276 ng/mL. Despite the far-reaching contamination of these compounds, there is limited knowledge of their environmental behaviour, fate, and toxicity. Model predictions show that 297 of 330 LCMs are persistent and bioaccumulative compounds, with many more indicated as being toxic. However, current knowledge of their physicochemical and PBT properties is largely restricted to theoretical predictions and limited to a small number of experimental toxicity studies. As an emerging class of contaminants of concern, a lack of standardisation between studies was identified as a key challenge to advancing the state of knowledge of these compounds. Not only are harmonised analytical methods for their determination and quantification in environmental media yet to be established, but there is also a need for a universal abbreviation system. To further harmonise the reporting of data on LCMs we propose reporting the sum concentration of ten priority LCMs, selected on the basis detection frequency, toxicity and potential for human exposure. Of the ten priority LCMs five are fluorinated biphenyls and analogues, four are biphenyls/bicyclohexyls and analogues and one is a cyanobiphenyl.

Public health aspects of Vibrio spp. related to the consumption of seafood in the EU.

Vibrio parahaemolyticus, Vibrio vulnificus and non-O1/non-O139 Vibrio cholerae are the Vibrio spp. of highest relevance for public health in the EU through seafood consumption. Infection with V. parahaemolyticus is associated with the haemolysins thermostable direct haemolysin (TDH) and TDH-related haemolysin (TRH) and mainly leads to acute gastroenteritis. V. vulnificus infections can lead to sepsis and death in susceptible individuals. V. cholerae non-O1/non-O139 can cause mild gastroenteritis or lead to severe infections, including sepsis, in susceptible individuals. The pooled prevalence estimate in seafood is 19.6% (95% CI 13.7-27.4), 6.1% (95% CI 3.0-11.8) and 4.1% (95% CI 2.4-6.9) for V. parahaemolyticus, V. vulnificus and non-choleragenic V. cholerae, respectively. Approximately one out of five V. parahaemolyticus-positive samples contain pathogenic strains. A large spectrum of antimicrobial resistances, some of which are intrinsic, has been found in vibrios isolated from seafood or food-borne infections in Europe. Genes conferring resistance to medically important antimicrobials and associated with mobile genetic elements are increasingly detected in vibrios. Temperature and salinity are the most relevant drivers for Vibrio abundance in the aquatic environment. It is anticipated that the occurrence and levels of the relevant Vibrio spp. in seafood will increase in response to coastal warming and extreme weather events, especially in low-salinity/brackish waters. While some measures, like high-pressure processing, irradiation or depuration reduce the levels of Vibrio spp. in seafood, maintaining the cold chain is important to prevent their growth. Available risk assessments addressed V. parahaemolyticus in various types of seafood and V. vulnificus in raw oysters and octopus. A quantitative microbiological risk assessment relevant in an EU context would be V. parahaemolyticus in bivalve molluscs (oysters), evaluating the effect of mitigations, especially in a climate change scenario. Knowledge gaps related to Vibrio spp. in seafood and aquatic environments are identified and future research needs are prioritised.

Real-Space Visualization of Charged Polymer Network of Hydrogel by Double Network Strategy and Mineral Staining.

Hydrogels consist of three-dimensional (3D) and complicated polymer networks that determine their physical properties. Among the methods for structural analyses of hydrogels, the real-space imaging of a polymer network of hydrogels on a nanometer scale is one of the optimal methods; however, it is highly challenging. In this study, we propose a direct observation method for cationic polymer networks using transmission electron microscopy (TEM). By combining the double network strategy and the mineral staining technique, we overcame the challenges of polymer aggregation and the low electron density of the polymer. An objective cationic network was incorporated into a neutral skeleton network to suppress shrinkage during subsequent staining. Titania mineralization along the cationic polymer strands provided sufficient electron density for the objective polymer network for TEM observation. This observation method enables the visualization of local structures in real space and plays a complementary role to scattering methods for soft matter structure analysis.

Definition, detection, and tracking of nanowaste in foods: Challenges and perspectives.

Commercial applications of nanotechnology in the food industry are rapidly increasing. Accordingly, there is a simultaneous increase in the amount and diversity of nanowaste, which arise as byproducts in the production, use, disposal, or recycling processes of nanomaterials utilized in the food industry. The potential risks of this nanowaste to human health and the environment are alarming. It is of crucial significance to establish analytical methods and monitoring systems for nanowaste to ensure food safety. This review provides comprehensive information on nanowaste in foods as well as comparative material on existing and new analytical methods for the detection of nanowaste. The article is specifically focused on nanowaste in food systems. Moreover, the current techniques, challenges as well as potential use of new and progressive methods are underlined, further highlighting advances in technology, collaborative efforts, as well as future perspectives for effective nanowaste detection and tracking. Such detection and tracking of nanowaste are required in order to effectively manage this type ofwasted in foods. Although there are devices that utilize spectroscopy, spectrometry, microscopy/imaging, chromatography, separation/fractionation, light scattering, diffraction, optical, adsorption, diffusion, and centrifugation methods for this purpose, there are challenges to be overcome in relation to nanowaste as well as food matrix and method characteristics. New technologies such as radio-frequency identification, Internet of things, blockchain, data analytics, and machine learning are promising. However, the cooperation of international organizations, food sector, research, and political organizations is needed for effectively managing nanowaste. Future research efforts should be focused on addressing knowledge gaps and potential strategies for optimizing nanowaste detection and tracking processes.

Rational Molecular Design of a Fluorescent Probe for Selectively Sensing Human Cytochrome P450 2D6.

Cytochrome P450 2D6 (CYP2D6) is a key enzyme that mediates the metabolism of various drugs and endogenous substances in humans. However, its biological role in drug-drug interactions especially mechanism-based inactivation (MBI), and various diseases remains poorly understood, owing to the lack of molecular tools suitable for selectively monitoring CYP2D6 in complex biological systems. Herein, using a tailored molecular strategy, we developed a fluorescent probe BDPM for CYP2D6. BDPM exhibits excellent specificity and imaging capability for CYP2D6, making it suitable for the real-time monitoring of endogenous CYP2D6 activity in living bio-samples. Therefore, our tailored strategy proved useful for constructing the highly selective and enzyme-activated fluorescent probes. BDPM as a molecular tool to explore the critical roles of CYP2D6 in the pathogenesis of diseases, high-throughput screening of inhibitors and intensive investigation of CYP2D6-induced MBI in natural systems.

Directional Bias in Molecular Photogearing Evidenced by LED-Coupled Chiral Cryo-HPLC.

Molecular gearing systems are technomimetic nanoscale analogues to complex geared machinery in the macroscopic world. They are defined as systems incorporating intermeshed movable parts which perform correlated rotational motions by mechanical engagement. Only recently, new methods to actively drive molecular gearing motions instead of relying on passive thermal activation have been developed. Further progress in this endeavor will pave the way for unidirectional molecular gearing devices with a distinct type of molecular machine awaiting its realization. Within this work an essential step towards this goal is achieved by evidencing directional biases for the light-induced rotations in our molecular photogear system. Using a custom-designed LED-coupled chiral cryo-HPLC setup for the in situ irradiation of enantiomeric analytes, an intrinsic selectivity for clockwise or counterclockwise rotations was elucidated experimentally. Significant directional biases in the photogearing processes and light-induced single bond rotations (SBRs) are observed for our photogear with directional preferences of up to 4.8 : 1. Harnessing these effects will allow to rationally design and construct a fully directional molecular gearing motor in the future.

A systematic review of the botany, traditional use, phytochemistry, analytical methods, pharmacological effects and pharmacokinetics of NOTOPTERYGII RHIZOMA ET RADIX.

ETHNOPHARMACOLOGICAL RELEVANCE: NOTOPTERYGII RHIZOMA ET RADIX (NRR), a traditional Chinese medicine (TCM), has been utilized in China for millennia. Thriving in high-altitude regions with cold climates, wild NRR has been heavily exploited for its significant economic worth, particularly in the medical sector. THE AIM OF THE REVIEW: This paper presents a comprehensive review of the botany, traditional uses, phytochemistry, analytical methods, quality control, processing methods, pharmacological effects, and pharmacokinetics of NRR. These findings offer valuable insights for future research endeavors and establish a solid groundwork for the judicious clinical utilization of NRR. MATERIALS AND METHOD: The related information for NRR comes from scientific databases (such as Baidu Scholar, CNKI, Google Scholar, PubMed, Science Direct, Web of Science, SciFinder Scholar, Chinese Herb Classics, Chinese Pharmacopoeia, PhD and MSC Dissertations, etc.). RESULTS: Currently, components isolated from NRR are identified as coumarins, volatile oils, organic acids, flavonoids, glycosides, polyacetylenes, and trace elements. Most compounds are analyzed using HPLC and GC techniques. NRR exhibits a broad spectrum of pharmacological effects, such as anti-inflammatory, analgesic, antipyretic, antitumor, antiviral, antibacterial, immunosuppressive activities, as well as promoting blood circulation, removing blood stasis, providing neuroprotection, and liver protection. CONCLUSION: The research on NRR in phytochemistry and pharmacology has made great progress, and some traditional uses have been proven by modern pharmacology. However, because the complex chemical composition of NRR has not been effectively related to its pharmacological action, its mechanism of action has not been clearly expounded. In this review, the processing methods of NRR are summarized, and the exploration of further strengthening the processing mechanism of NRR is put forward, which provides some theoretical help for the clinical application of NRR. Furthermore, the complex chemical composition of NRR makes quality control difficult, so we must study its quality control thoroughly. In order to better develop and utilize NRR, we should establish a reasonable, reliable, and accurate quality control standard, and focus on the relationship between its active components and pharmacodynamic indicators and the study of its mechanism of pharmacological effects.

Emerging pollutant in surface water bodies: a review on monitoring, analysis, mitigation measures and removal technologies of micro-plastics.

Water bodies play a crucial role in supporting life, maintaining the environment, and preserving the ecology for the people of India. However, in recent decades, human activities have led to various alterations in aquatic environments, resulting in environmental degradation through pollution. The safety of utilizing surface water sources for drinking and other purposes has come under intense scrutiny due to rapid population growth and industrial expansion. Surface water pollution due to micro-plastics (MPs) (plastics < 5 mm in size) is one of the emerging pollutants in metropolitan cities of developing countries because of its utmost resilience and synthetic nature. Recent studies on the surface water bodies (river, pond, Lake etc.) portrait the correlation between the MPs level with different parameters of pollution such as specific conductivity, total phosphate, and biological oxygen demand. Fibers represent the predominant form of MPs discovered in surface water bodies, exhibiting fluctuations across seasons. Consequently, present study prioritizes understanding the adaptation, prevalence, attributes, fluctuations, and spatial dispersion of MPs in both sediment and surface water environments. Furthermore, the study aims to identify existing gaps in the current understanding and underscore opportunities for future investigation. From the present study, it has been reported that, the concentration of MPs in the range of 0.2-45.2 items/L at the Xisha Islands in the south China sea, whereas in India it was found in the range of 96 items/L in water samples and 259 items/kg in sediment samples. This would certainly assist the urban planners in achieving sustainable development goals to mitigate the increasing amount of emergent pollutant load.

Nitrophenols in the environment: An update on pretreatment and analysis techniques since 2017.

Nitrophenols, a versatile intermediate, have been widely used in leather, medicine, chemical synthesis, and other fields. Because these components are widely applied, they can enter the environment through various routes, leading to many hazards and toxicities. There has been a recent surge in the development of simple, rapid, environmentally friendly, and effective techniques for determining these environmental pollutants. This review provides a comprehensive overview of the latest research progress on the pretreatment and analysis methods of nitrophenols since 2017, with a focus on environmental samples. Pretreatment methods include liquid-liquid extraction, solid-phase extraction, dispersive extraction, and microextraction methods. Analysis methods mainly include liquid chromatography-based methods, gas chromatography-based methods, supercritical fluid chromatography. In addition, this review also discusses and compares the advantages/disadvantages and development prospects of different pretreatment and analysis methods to provide a reference for further research.

Microplastic-mediated environmental behavior of metal contaminants: mechanism and implication.

Microplastics (MPs) and metals are currently two of the most concerning environmental pollutants due to their persistent nature and potential threats to ecosystems and human health. This review examines the intricate interactions between MPs and metals in diverse environmental compartments, including aquatic, terrestrial, and atmospheric environments by focusing on the complex processes of adsorption and desorption and the mechanisms that govern these interactions. MPs act as carriers and concentrators of metals in aquatic and terrestrial environments, affecting the bioavailability and toxicity of these contaminants to aquatic and terrestrial organisms. This review highlights the existing challenges and constraints associated with current analytical methods, including microscopy, spectroscopy, and isotherm models in studying microplastic-heavy metal interactions. Moreover, we identified the knowledge gaps and future research directions that can enhance our understanding of the dynamic interplay between MPs and metals in various environmental settings.

Volatilomics of Fruit Wines.

Volatilomics is a scientific field concerned with the evaluation of volatile compounds in the food matrix and methods for their identification. This review discusses the main groups of compounds that shape the aroma of wines, their origin, precursors, and selected metabolic pathways. The paper classifies fruit wines into several categories, including ciders and apple wines, cherry wines, plum wines, berry wines, citrus wines, and exotic wines. The following article discusses the characteristics of volatiles that shape the aroma of each group of wine and the concentrations at which they occur. It also discusses how the strain and species of yeast and lactic acid bacteria can influence the aroma of fruit wines. The article also covers techniques for evaluating the volatile compound profile of fruit wines, including modern analytical techniques.

Contamination of ultraviolet absorbers in food: toxicity, analytical methods, occurrence and risk assessments.

Ultraviolet (UV) absorbers are chemical substances that are widely used as defenses against the damaging effects of solar radiations. UV absorbers, despite their benefits, are categorized as emerging pollutants because they have been demonstrated to be mutagenic, toxic, pseudo-persistent, bio-accumulative, and to have strong estrogenic effects. Because of their common use in personal care products, they continue to enter the environment. Several food samples, particularly those derived from aquatic sources, have been found to be contaminated with these compounds. Toxic effects on aquatic life, such as metabolic imbalance and developmental toxicity, result from the continued presence of UV absorbers in aquatic bodies. In addition, the degree of exposure to these pollutants in foods should be examined because there are certain risks associated with their consumption by humans. Therefore, this review focuses on the toxicity, analytical techniques, occurrence, and risk assessments of UV absorbers found in food.

Diagnostic Aspects of Paraquat in the Forensic Toxicology: A Systematic Review.

Background: Paraquat (N, N-dimethyl-4,4-bipyridinium dichloride) is a nonselective, fast-acting, and contact chemical herbicide used extensively for weed control. It has high acute oral toxicity, the ability to accumulate in the lungs, and a high potential for pulmonary fibrosis after its intoxication. The present systematic review focuses on evaluating diagnostic aspects of paraquat (PQ) in forensic toxicology. Methods: Evaluation of the literature according to the following criteria: only human studies published from February 1971 to March 2022 which are in English on the following databases: 1) Medline/PubMed/MeSH search words: ((Methyl viologen [Title/Abstract]) OR (paraquat [MeSH Terms])) AND (forensic [Title/Abstract]); 2) Scopus Keywords related to the study aim included forensic toxicology, paraquat, Methyl viologen; 3) Web of Science. Keywords related to the study aim included forensic toxicology, paraquat, and Methyl viologen. Results: Thirty full-text articles were included. The results of our review indicate plasma and urine are more used for identifying PQ, and liver, lung, and gastric fluid are important in postmortem cases. Preparation methods, including liquid-liquid extraction (LLE), solid-phase extraction, and acetonitrile-precipitated protein, are often required for removing interfering substances. Chromatographic methods, among other analytical techniques, are more sensitive, specific, and applicable. Conclusion: Our review suggests that plasma, urine, and lungs should be prioritized in sampling. Solid-phase extraction has better recovery than LLE in many samples. Colorimetric methods are not used much today, and radioimmunoassay (RIA) has limited application despite its high sensitivity. Gas and liquid chromatography methods appear to offer the best approach for the analysis of PQ.

Paper-in-Tip Bipolar Electrospray Mass Spectrometry for Real-Time Chemical Reaction Monitoring.

Capturing short-lived intermediates at the molecular level is key to understanding the mechanism and dynamics of chemical reactions. Here, we have developed a paper-in-tip bipolar electrolytic electrospray mass spectrometry platform, in which a piece of triangular conductive paper incorporated into a plastic pipette tip serves not only as an electrospray emitter but also as a bipolar electrode (BPE), thus triggering both electrospray and electrolysis simultaneously upon application of a high voltage. The bipolar electrolysis induces a pair of redox reactions on both sides of BPE, enabling both electro-oxidation and electro-reduction processes regardless of the positive or negative ion mode, thus facilitating access to complementary structural information for mechanism elucidation. Our method enables real-time monitoring of transient intermediates (such as N,N-dimethylaniline radical cation, dopamine o-quinone (DAQ) and sulfenic acid with half-lives ranging from microseconds to minutes) and transient processes (such as DAQ cyclization with a rate constant of 0.15 s-1). This platform also provides key insights into electrocatalytic reactions such as Fe (III)-catalyzed dopamine oxidation to quinone species at physiological pH for neuromelanin formation.

The application of PTR-MS and non-targeted analysis to characterize VOCs emitted from a plastic recycling facility fire.

BACKGROUND: On April 11th, 2023, the My Way Trading (MWT) recycling facility in Richmond, Indiana caught fire, mandating the evacuation of local residents and necessitating the U.S. Environmental Protection Agency (EPA) to conduct air monitoring. The EPA detected elevated levels of plastic combustion-related air pollutants, including hydrogen cyanide and benzene. OBJECTIVE: We aimed to identify these and other volatile organic compounds (VOCs) present as well as to identify the potential hazard of each compound for various human health effects. METHODS: To identify the VOCs, we conducted air monitoring at sites within and bordering the evacuation zone using proton transfer reaction mass spectrometry (PTR-MS) and non-targeted analysis (NTA). To facilitate risk assessment of the emitted VOCs, we used the EPA Hazard Comparison Dashboard. RESULTS: We identified 46 VOCs, within and outside the evacuation zone, with average detection levels above local background levels measured in Middletown, OH. Levels of hydrogen cyanide and 4 other VOCs were at least 1.8-fold higher near the incidence site in comparison to background levels and displayed unique temporal and spatial patterns. The 46 VOCs identified had the highest hazardous potential for eye and skin irritation, with approximately 45% and 39%, respectively, of the VOCs classified as high and very high hazards for these endpoints. Notably, all detected VOC levels were below the hazard thresholds set for single VOC exposures; however, hazard thresholds for exposure to VOC mixtures are currently unclear. IMPACT: This study serves as a proof-of-concept that PTR-MS coupled with NTA can facilitate rapid identification and hazard assessment of VOCs emitted following anthropogenic disasters. Furthermore, it demonstrates that this approach may augment future disaster responses to quantify additional VOCs present in complex combustion mixtures.